Curriculum Vitae of Prof. (Dr.) Vijay K.

Agrawal

Name and Designation: Prof. (Dr.) Vijay Kumar Agrawal

Director, NITTTR
Bhopal (M.P.)
Father’s Name: Late Shri Ram Agrawal
Date of Birth: 11th June 1957 at Allahabad
Institution: National Institute of Technical Teachers’
Training & Research, Shamla Hills,
Bhopal-462002 (M.P.)
Field of Specialization: Physical Chemistry, Molecular modeling
Theoretical Chemistry, QSAR Studies,
Computer Aided Drug Designing.
Contact: National Institute of Technical Teachers’
Training & Research Shamla Hills,
Bhopal-462002(M.P.)
E-Mail: vijay-agrawal@lycos.com,
apsvka@yahoo.co.in
Phone: +91-755-2661600-602, Mob: 09425194556
Fax: +91-755-2661996,www.nitttrbpl.ac.in
Academic Record:

Examination Board/University Year of Division Position % of Subject

passing Grade in merit, Marks
if any

M.Sc. Allahabad University 1980 I Second 72.4 Physical

Chemistry

PGD Tokyo Institute 1991 - Chemistry and of

Technology Chemical
Engineering

D.Phil.: Title of Thesis: “Structure-activity relationship studies in drug

molecules: A quantum mechanical approach”
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Guide: Prof. Bal Krishna
Year: 1984
University: Allahabad University

Teaching and Research Experience: More than 29 years, PG teaching 24 yrs.

Member of the Academic Bodies:

* Former Member, Executive Council, APS University, Rewa
* Former Dean, Faculty of Science, APS University, Rewa
* Former Dean, Faculty of Home Science, APS University, Rewa
* Former Chairman Board of Studies in Chemistry, A.P.S. University, Rewa
* Former Member Central Board of Studies in Chemistry, MP
* Former Prof.-in-charge of Study Centre for Biochemistry A.P.S. University, Rewa.
* Zonal secretary QSAR Society of India (Since 1991).
* Fellow and Council Member of Indian Chemical Society,
* Life member of the National Academy of Sciences, India
* Life member of Indian Association of Nuclear Chemists and Allied Scientists,
* Former member Academic Council, A.P.S. University, Rewa
* Former In-Charge, Computer Cenre, APS University, Rewa
* Former member research Degree Committee in Applied Chemistry, Kanpur University
* Served as Associate Editor (for two years) “J. of Indian Chemical Society”
• Member of the council of the Indian Chemical Society, Kolkata.
• Member Board of Studies in Chemistry, Kanpur University, Kanpur.

Administrative Experiences
* Ex-Member, Executive Council of APS University, Rewa
* Ex-Dean, Faculty of Science, APS University, Rewa
* Ex-Dean, Faculty of Home Science, APS University, Rewa
* Former Dean, Students’ Welfare, APS University, Rewa from May 2005 to Feb 2007.
* Former Chairman, DPC, APS University, Rewa
* Former Head of the Chemistry Department APS University Rewa.
* Former Prof-in Charge Centre for Biochemistry, APS University
* Former Prof.-in-charge M.Phil. in Bio-chemistry
* Acted Coordinator, Flying Squad, A.P.S. University, Rewa, for many years
* Acted Superintendent for University Examinations for many years.
* Acted as a Member, Unfair Means Committee of the A.P.S. University Exams.
* Acted as Coordinator, Central Valuation of APS University Examination for 2004, 2005
* Acted as Assistant Coordinator, Central Valuation of APS University Examination for 2001,
2002 examinations.
* Acted as Chief Coordinator, Central Revaluation 2004 examinations of APSU, Rewa
* Acted as Assistant Coordinator, Revaluation Cell of the APS University.
* Acted as a member of the Central Purchase Committee of the APS University.
* Edited “Vishwavidyalaya Samachar” of APS University Rewa for more than five Years.
* Former member Editorial Board of “Vindhya Bharti” Research Journal of APSU
* Worked as Programme Officer of NSS of the APSU,Rewa for more than four years.
* Worked as Director of SC/ST coaching cell of the APS University.
* Worked as Coordinator Central Valuation (Science Cell) for 2003 examination of APS
University, Rewa.
* Participated in various Inspection Committees of affiliated colleges of APSU, Rewa.

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* Acted as Observer in LL.B Entrance Test–2003 and 2004 conducted by APSU, Rewa.
• Superintendent UGC NET Examination for 2006, 2007 and 2008 examinations.
• Worked as Coordinator, result Cell for 2008 Examination, APS University, Rewa
• Acted as Coordinator, Result Cell of APS University for 2007-08 and 08-09
Examination
• Acted as member of Stearing Committee for UGC Visit, APS University, Rewa

Academic achievements and other related activities:

* Organized a National Seminar on “Recent Trends in Chemistry” during 2003-2004.

* Acting as referee for International Journals “Bioorganic and Medicinal Chemistry”
“Bioorganic and Medicinal Chemistry Letters”, U.K. Published by Elsevier.
* Acting as a referee for International Journal “Journal of Molecular Liquids”, Germany.
* Acting as a referee for International Journal C.B.D.D. chemical Biology & Drug Design.
* Awarded UNESCO fellowship in 1990, visited Japan for one year for higher research
work, received PGD degree in Chemistry and Chemical Engineering.
* Studied Japanese language for six months.
* Delivered an invited talk on Szeged index in Romania during the International
Conference on “20 Years of Topology in Cluj. TOPMOL” from Sept 25 to 30, 2006.
* Associated with the Science Communication Programme of National Academy of
Sciences, India.
* Acted as resource person to deliver expert lectures on Topological applications in Drug
Design at BITS, Pilani, Jainarain Vyas University, Jodhpur, Nagpur University, Bhagalpur
University, Jiwaji University, Gwalior.
* Delivered Plenary Lecture at 57th Indian Pharmaceutical Congress 2005 (An international
event) held at Hyderabad from Dec 2 to 4, 2005.
* Delivered two expert lectures on QSAR and molecular modeling at Deen Dayal
Upadhyaya Gorakhpur University (UGC refresher course in Chemistry-2005).
* Delivered two lectures in the Chemistry Department of Jiwaji University, Gwalior
(MICA programe).
* Completed four Major Research Projects awarded by AICTE, CSIR and UGC, New Delhi.
One project from UGC has recently been awarded
* Completed three minor research projects of UGC and one is still going on
* Recipient of J.R.F and S.R.F. from CSIR, New Delhi.
* Presented research papers in many International and National Symposia and Seminars.
* Taught Japanese language to MTA students’ upto 1997.
* Worked as Course Coordinator of BJMC course of APSU Rewa for more than four years.
* Worked as member of Internal Quality Assurance Cell (IQUAC) of APSU Rewa.
* Worked as a member of AIU Cultural Committee for 2008-09
* Appointed as an expert in the Project Award Committee for chemistry in UGC, New
Delhi, 2008.

Projects awarded:
a. Awarded major research project from AICTE on “Computer aided drug designing
and calculation of some physico-chemical parameters”; completed in June 2000.
b. Awarded a major research project by U.G.C., New Delhi on “Computer aided
designing of some anti-HIV agents.”
c. Awarded a major project by CSIR New Delhi on Topological modelling of some
organic drugs.
d. Awarded a Project from UGC on “ Topological Modeling of Some Protein Kinase
Inhibitors”.

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Publications:
a. Number of Research papers
Published in International/ National Journals: 130
b. Accepted for publication: 02
c. Communicated 10

Foreign Visits:

• Visited Japan for one year as a UNESCO Fellow.(1990-91).

• Visited Romania and delivered invited lecture on Topological Indices (International
Conference on TOPMOL 2006).

Working with world renowned Scientists:

1. Prof. Alexandru T. Balaban , A.T. Balaban Department of Marine Sciences, Texas
A&M University at Galveston, 5007 Avenue U, Galveston,, TX 77551, United
States of America
2. Prof. I. Lukovits, Central Research Institute for Chemistry, Hungarian Academy of
Sciences, P.O. Box 17, H-1525, Budapest, Hungary.
3. Prof. Ivan Gutman, Faculty of Science, University of Kragujevac, P.O. Box 60, YU-
34000, Kragujevac, Yugoslavia,
4. Prof. M.H. Abbraham, Department of Chemistry, University College London,
20 Gordon Street, London WC1H 0AJ, UK
5. Prof. Mircea. V. Diudea, Faculty of Chemistry and Chemical Engineering, Babes-
Bolyai University, 3400Cluj, Roumania
6. Prof. Claudiu T Supuran, University of Florence, Dipartimento di Chimica,
Laboratorio di Chimica Bioinorganica, Via della Lastruccia, 3, Rm.188, Polo
Scientifico,50019-Sesto Fiorentino (Firenze), Italy.
7. Prof. Brian W.Clare, School of Biomedical and Chemical Sciences, University of
Western Australia, 35 Stirling Highway, Crawley, WA-6009, Australia.

Awards: 1.UNESCO fellowship-1990-91

2. Recipient of Pt.Ravi shankar shukla award for popular Science
book “Kahan Gayee Swachchha Hawa” from Sahitya Academy
M.P.Govt.1991

BOOKs
Author:

1. Bharat Ki Sanskritik Virasat (With Mrs. Hemlata)

2. Subah Kuchh Sham Kuchh
3. Hamari Sanskritik Dharohar (With Mrs. Hemlata)

Popular Science

4. Kahan Gayee Swachchha Hawa

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5. Zahreela Ho Raha Hai Pani
6. Paryavaran Aur Hum
7. Kahani Robot Ki
8. Duniya Badalne Wale Vaigyanik
9. Akash Mein Kya Hai
10. Gane Wale Panchhi
11. Pankh Se Rocket Tak
12 Saur Urja

Edited (Assoc. Editor):

Books/ Journals
1. Mahapandit Rahul
2. Kashi Par Kahan
3. Samkaleen Kahaniyan
4. Fazal Tabish
5. Shatabdi Vimarsh : A collection of Writings of Sri Jagdish Joshi
6. Mai Nahi Jag Bolta Hai
7. Kaptan Awadhesh Pratap Singh (Monograph)
8. Vindhya Bharti (J.)
9. Sarthakta Ka Sachhya “Hiralal Nigam”
10. Yug Sakshi Harishankar Parsai
11. Pt. Urmila Prasad Shukla
12. Kamla Prasad Vyaktitva evam Krititva
13. Vasudha -a literary magazine

Edited Seven Books on Journalism for BJ (MC) of APS University, Rewa

Extra-curricular activities:
* Organized National Level Interuniversity Youth Festival in 1994-95 sponsored by
AIU, New Delhi
* Participated in Blood donation programmes of Lions Club, Rewa
(Donated blood several times)
* Organized a very popular national seminar on Role of Media in 21st century.
* Former member of Board of editors “Vindhya Bharti” a research journal of APSU,
Rewa.
*. Features,reports,articles published in various news papers.

LIST OF PUBLICATIONS OF DR. VIJAY K. AGRAWAL

1. QSAR Studies on antituberculotic N1-cyclopropyl quinolones using Szeged index (Sz)

Vijay K. Agrawal, Shahnaz Bano, Keshav C. Mathur and Padmakar V. Khadikar
Indian J. Chem., 38A,1203-1208, 1999.

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2. Novel application of Wiener vis-a-vis Szeged indices: Antituberculotic activities of
quinolones
Vijay K. Agrawal, Shahnaz Bano, Keshav C. Mathur and Padmakar V. Khadikar
Proc. Indian Acad. Sci., (Chem. Sec.)112, 137-1146, 2000.

3. Topological effect of substitution on antituberculotic activities of quinolones

Vijay K. Agrawal, Shahnaz Bano, Keshav C. Mathur and Padmakar V. Khadikar
Proc. Nat. Acad. Sci.,Sec. A (Phys Sec.) 69(A)II,145-154(1999).

4. Novel substitution constatnt for QSAR studies

Vijay K. Agrawal, S. Bano, K. C. Mathur, P. V. Khadikar and S. Karmarkar
Nat. Acad. Sci. Letters 22, 55-59 (1999)

5. Study of inhibition of DNA synthesis by hydroxyurea(s)

Vijay K. Agrawal, Shahnaz Bano, Keshav C. Mathur and Padmakar V. Khadikar
Proc. Indian Acad. Sci., (Chem. Sec.) 111, 697-708 (1999)

6. Topological QSAR studies on antifungal benzoxazoles

Sunil K. Soni , Vijay K. Agrawal, P. V. Khadikar and A.K. Srivastava
Indian J. Chem., 38(A), 745-752 (1999).

7. Topological studies on benzodiazepine receptor binding

Sunil K. Soni , Vijay K. Agrawal, P. V. Khadikar and A.K. Srivastava
J. Indian Chem. Soc. , 77,133-136 (2000)

8. QSAR studies on antiasthmatic agents

Shailja Sachan, Shahnaz Bano,Vijay K. Agrawal, P. V. Khadikar , A.K. Srivastava
Nat. Acad. Sci. Letters, 22, 119-124 (1999).

9. Use of Szeged index in the study of alkylpyrazine odor modulators: Specific anosmia
Manorama Mandloi, V. K. Agrawal, K. C. Mathur, P. V. Khadikar, S. Karmarkar
Bulgarian Chemistry and Industry,73, 5-10 (2002)

10. QSAR studies on a series of 4-quinolinecarbinolamine antimalarials

Vijay K. Agrawal, Sangeeta Sinha and Padmakar V. Khadikar
Indian J. Chem., 39B, 472-474 (2000).

11. QSAR studies on some antimalarials

Sangeeta Sinha, Shahnaz Bano, Vijay K. Agrawal and Padmakar V. Khadikar
Oxid. Commun., 22, 479-486 (1999).

12. QSAR studies on some antimalarials:Substituted phenyl analogues and their

Nw-oxides
Vijay K. Agrawal , Ruchi Sharma and Padmakar V. Khadikar
Bioorg. Med. Chem., 10, 1361-1366 (2002).

13. On homo-lumo energies and charge densities of 2-acetylpyridine

1-oxide thiosemicarbazone
Sangeeta Sinha, Shahnaz Bano, Vijay K. Agrawal and Padmakar V. Khadikar
Oxidation Communication, 24, 16-20 (2001)

14. QSAR studies on antimalarial 2,4-diamino-6-quinazoline sulfonamides

Vijay K. Agrawal, Sangeeta Sinha, Shahnaz Bano and Padmakar V. Khadikar
Acta Microbiologic, 48, 17-26 (2001)

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15. QSAR studies on antimalarial activities of 2-phenyl-4-quinoline-carbinolamines
Vijay K. Agrawal, Sangeeta Sinha, Shahnaz Bano and Padmakar V. Khadikar
Pol. J. Pharmacol. 51, 517-523 (1999).

16 QSAR studies on antimalarial activities of 5-phenoxyprimaquines

Vijay K. Agrawal , P.V. Khadikar
Oxid. Comm. 26,179-185 (2003)

17. On the Szeged index of monocyclic graphs

P. V. Khadikar, P.P.Kale, N.V. Deshpande and V. K. Agrawal
J. Indian Chem Soc, 77,449-452 (2000)

18. QSAR analysis of antibacterial activity of some 4-aminodiphenyl sulfone

derivatives
Vijay K. Agrawal ,Shahnaz Bano and Padmakar V. Khadikar
Acta Microbiologica- 50, 385-393 (2003)

19. Szeged indices of hexagonal chains

P.V. Khadikar , P. P. Kale, N. V. Deshpande, S. Karmarkar and V.K. Agrawal
MATCH, 43, 7-15 (2001).

20. Comparative study of the Balaban, Schultz, and Padmakar-Ivan indices of

Polychlorinated Biphenyls
P.V. Khadikar , V.K. Agrawal, S. Karmarkar
Oxid. Comm.27, 17-22 (2004)

21. Novel estimation of the edge-shift in X-ray absorption discontinuity by the Harary
index (H)
S. Joshi, S. Singh, V.K. Agrawal, K.C. Mathur, S. Karamarkar and P.V. Khadikar
Nat. Acad. Sci. Letters., 22, 159-167 (1999).

22. Electron spin resonance in phen-adducts of copper(II)-salicylhydroxamates

S. Karamarkar, P.V. Khadikar, S.Singh, V.K. Agrawal, K.C. Mathur and T. Ghadarian
Oxidation Communication, 24, 184-191 (2001)

23. Modelling of anti-HIV-1 drugs: acyclouridine derivatives

Vijay K. Agrawal and Padmakar V. Khadikar
Oxidation Communication. 25,481-492 (2002)

24. Relationships and relative correlation potential of the Wiener, Szeged, and PI indices.
Padmakar V Khadikar, Sneha Karmarkar and Vijay K Agrawal
Nat. Acad. Sci. Letters, 23, 165-170 (2000)

25. Quantitative structure-activity analysis of {β(Arorylamino)ethyl} piperazines

and piperidines, A class of potent H1 antagonists,
D.K. Gupta, A.K. Srivastava and V.K. Agrawal,
Oxidation Communication, 16, 74 (1993).

26. PI Index of polyacenes and its use in QSPR

Padmakar V Khadikar Sneha Karmarkar and Vijay K. Agrawal
Nat. Acad. Sci. Letters, 23, 124-128 (2000)

27. QSAR studies on anti-inflammatory 4,5-diaryl-pyrroles

Vijay K. Agrawal Suja Joseph Padmakar V Khadikar Sneha Karmarkar
Acta Pharm. 50, 281, 2000
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28. QSAR studies on some anti-HIV-1 drugs: deoxy analogues of HEPT(1)
Vijay K. Agrawal, Jyoti Singh, Sneha Karmarkar and Padmakar V. Khadikar
Bulg. Chem. Ind. In Press

29. Stability of antiferroelectricity and causes for its appearance in SmCα* and SmCA*
phases of a chiral smectic liquid crystal, MHPOBC,
Yoichi Takanishi, Kazuyuki Hiraoka, Vijay. K. Agrawal, Hideo Takezoe,
Atsuo Fukuda and Mitsugu Matsushita,
Jap. J. Appl. Phys., 30(9A) 2023 (1991).

30. Topological estimation of proton-ligand formation constants: A multivariate analysis

S. Karmarkar, P.V. Khadikar, M. Mandloi, S. Joshi,V. K. Agrawal and S.Bano
Indian J. Chem. Sec A 40A, 12-22 (2001).

31. QSAR study on quinolone antibacterials

Vijay K. Agrawal , Padmakar V. Khadikar
Bulg. Chem. Ind. In Press

32 Novel PI indices of hexagonal chains

P. V. Khadikar, P. P. Kale, N. V. Deshpande, S. Karmarkar and V.K. Agrawal
J. Math.Chem., 29, 143-150 (2001).

33. QSAR study on a new class of potent H1 antagonists

V.K. Agrawal, Shailja Sachan and P.V. Khadikar
Nat. Acad. Sci. Letters, 24,16 ( 2001).
34. Estimation of anti-tuberculosis activity of the quinolones by Harary index
S.Karmarkar, G. S. Thakaral, V.K. Agrawal, K.C. Mathur and P.V. Khadikar
Nat. Acad. Sci. Letters, 22, 207 (1999).

35. On the Szeged indices of [N]-cycles and monocycles containing

acyclic side chains
P.V. Khadikar,S.Karmarkar, V. K Agrawal, M. Mandloi and S. Joshi
Nat. Acad. Sci. Letters, 23, 50-56 (2000).
36. Topological estimation of proton-ligand formation constants of potential antitumor
agents : Salicylhydroxamic acids
S. Karmarkar, P. V. Khadikar, V. K Agrawal, K.C. Mathur , M. Mandloi, S. Joshi
Proc. Indian Acad. Sci. (Chem. Sec.), 112, 43-49 (2000).

37. Topological potential of zwitterion analogues of cimetidine as H2-receptor antagonists

Vijay K. Agrawal , Shailja Sachan and Padmakar V. Khadikar
Pol. J. Pharmacol., 52, 39-46 (2000).

38. QSAR study on a new class of airway selective steroids for the treatment of asthma
Vijay K. Agrawal and Padmakar V. Khadikar
Oxidation Comm, 25, 184 (2002)
39. On the role of molecular connectivity in IOC- ω Technique,
D.K. Gupta, V.K. Singh, A.K. Srivastava and Vijay Agrawal,
Indian J. Chem., 60 (A), 263 (1990).
40. Studies on flavins as potential antimalarials
Vijay K. Agrawal , Ruchi Sharma and Padmakar V. Khadikar
Oxid. Communication, 26,186 (2003).

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41. QSAR study on antiviral activity of ester prodrugs of
6-methoxypurine arabinosides
Vijay K. Agrawal , Ruchi Sharma and P. V. Khadikar
Indian J. Chem., 41A, 1163-1166(2002).

42. QSAR studies on anti-HIV-1 activity of 1-alkoxy-5-alkyl-6-(arylthio) uracils

Vijay K. Agrawal , and P. V. Khadikar
Bulg. Chem Ind., 73, 11-16 (2002)

43. QSAR studies on antihypertensive thiadiazoles

Vijay K. Agrawal , Shahnaz Bano and P. V. Khadikar
Nat. Acad. Sci. Letters, 23, 21-27, (2000).

44. QSAR study on antihypertensive activity of a series of alkyl

N-[diphenyl alkyl]aminoalkyl-4-aryl-1,4-dihydro-2,6-dimethyl
pyridine-3,5 di-carboxylats
Vijay K. Agrawal, Padmakar V. Khadikar
Oxi. Commun. 26, 1-8(2003)

45. QSAR modeling of antihypertensive thiadiazoles

Vijay K. Agrawal, Shahnaz Bano and Padmakar V. Khadikar
Oxidation Communication, 24, 21-27 (2001)

46. Role of molecular redundancy in developing QSAR model:A case of new class of
nonsteroidal anti-inflammatory agents
Vijay K. Agrawal , Suja Joseph and P. V. Khadikar
Nat. Acad. Sci. Letters, 23, 57-62 (2000)

47. Quantitative structure-activity (QSAR) studies on nonulcerogenic

anti-inflammatory agents
Vijay K. Agrawal and P. V. Khadikar
Bulg. Chem. Commun. 34,35-44, (2002).

48. QSAR studies on histamine H3-receptors: Iodoproxyfan compounds and

Na-alkylated histamine derivatives
Vijay K. Agrawal , Shailja Sachan , Sneha Karmarkar and Padmakar V. Khadikar
Nat. Acad. Sci. Letters, 23, 129-145 (2000)

49. On the Topological Estimation of Chromatographic Capacity Factor (Ki)

Vijay K. Agrawal and Padmakar. V. Khadikar
Revue Roumaniae de Chemie, 48,795-800(2003)

50. QSAR studies on acylated histamine derivatives

Vijay K. Agrawal and Padmakar V. Khadikar
Bioorg. Med Chem., 9, 2787-2792 (2001)

51. QSAR studies on antihistaminic activity of some thiazolidine-4-ones

Vijay K. Agrawal , Shailja Sachan and Padmakar V. Khadikar
Acta Pharm., 50, 281-290, (2000).
52. Estimation of antihypertensive activity of 2-aryl-imino-imidazolidines
using Szeged index.
M. Mandloi, V. K. Agrawal, K. C. Mathur, P. V. Khadikar and S. Karmarkar
Oxidation Communcation, 25, 193 (2002)

53. QSAR study on phenoxyalkyl imidazoles as potent H3-receptor histamine antagonists

Vijay K. Agrawal , Shailja Sachan , Padmakar V. Khadikar and S. Karmarkar
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 Acta Pharm., 51, 189-199 (2001).

54. HOMO & LUMO Energy values for bases of nucleic acids,
K.B. Lal, V.K.Agrawal, A.K. Srivastava and B. Krishna,
Indian J. Pure Appl. Phys., 21, 670 (1983).

55. Multivariate analysis for modelling some antibacterial agents

Vijay K. Agrawal, Kamlesh Mishra and Padmakar V. Khadikar
Oxidation Communication, 26,14-21, (2003).

56. Search for unique set of parameters in IOC-ω Technique,

K.B. Lal, V.K.Agrawal, A.K. Srivastava and B. Krishna,
Indian J. Pure Appl. Phys., 20 , 994 (1982).

57. QSAR analysis of indolealkylamine receptor binding using Szeged index

Manorama Mandloi , Vijay K. Agrawal , Keshav C. Mathur , Sneha Karmarkar
Padmakar V. Khadikar
Acta Pharma , 50, 303-313, (2000).

58. QSAR modelling of anti-inflammatory activity of a new series of tetracyclic

carboxamides
Vijay K. Agrawal and Padmakar V. Khadikar
Oxi. Commun., 26,168 (2003).

59. QSAR studies on anti-hypertensive activity of 4-(diarylmethyl)-N-substituted-

piperadines
Vijay K. Agrawal, Rajneesh C Srivastava and Padmakar V. Khadikar
Acta Pharma, 51, 117-130 (2001).

60. QSAR studies on some antimalarial sulfonamides

Vijay K. Agrawal, Ravindra Srivastava and Padmakar V. Khadikar
Bioorg. Med.Chem., 9, 3287-3293 (2001)

61. QSAR study using distance-based topological indices

P. V. Khadikar, S. Karmarkar, K. Gaur, S. Singh and Vijay K Agrawal
Oxi. Commun., 27, 1-11(2004)

62. A Novel PI index and its applications to QSPR/QSAR studies

P. V. Khadikar, S. Karmarkar and Vijay K Agrawal
J. Chem. Inf. Comput. Sci., 41, 934-949 (2001)

63. QSAR studies on some anti-HIV agents: HEPT analogues

Vijay K. Agrawal, Kamlesh Mishra, Ruchi Sharma and Padmakar V Khadikar
J Chem Sc. 116, 93-99(2004)
64. Topological modelling of binding affinity of 1-phenyl-3-amino-1, 2, 3,
4-tetrahydronaphthalenes as ligands for histamine H1 receptors
Vijay K. Agrawal , Shailja Sachan, Sanjeev Chaturvedi and Padmakar V Khadikar
Proceedings of the Nat. Acad. Sci. India 73, 283-296 (2003).

65. QSAR study on binding affinity of PATs (rodenticides) to the [3H]-mepyramine-labeled

H1 receptor in rat and guinea pig brain
Vijay K. Agrawal, Sanjay Karmarkar and Padmakar V Khadikar
SAR - QSAR Environ. Res.12, 529-545 (2001).

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66. On the modelling of competition binding of rodenticides (PATs) to
H1 receptor in rat and guinea pig brain
Vijay K Agrawal, Sanjay Karmarkar and P. V. Khadikar,
Bioorg. Med. Chem. 10, 2913-2918 (2002).

67. On narcotic mechanism of action and toxicity: A molecular connectivity

approach to vibrio fischeri toxicity testing
Vijay K. Agrawal and Padmakar V. Khadikar
Bioorg. Med. Chem. 10, 3517-3522 (2002).

68. QSAR studies on the toxicity of insecticides

Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur P. V Khadikar
Bulg. Chem. Ind. 73, 99-103 (2002).

69. QSAR study on toxicity of insecticides:

A molecular connectivity approach
Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur and P. V Khadikar
Sci and Culture 69,16-19, (2003).

70. Novel Method for the Estimation of Toxicity of Insecticides

Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur and P. V Khadikar
Sci and Culture. 69, 277-279, (2003).

71. QSAR Prediction of toxicity of nitrobenzenes.

Vijay K. Agrawal, Padmakar V. Khadikar,
Bioorg Med. Chem., 9, 3035-3040 (2001)

72. Novel topological studies on crown compounds : Wiener indices

of thia-crowns
Padmakar V. Khadikar, Sneha Karmarkar and Vijay K. Agrawal
Oxid. Commu. 28, 799-809 (2005).

73. QSAR studies on Anti-tuberculotic Activity

Sneha Karmarkar, K. Gaur, S. Singh, Vijay K. Agrawal,
Keshav C. Mathur and Padmakar V. Khadikar
Oxid, Commun. 27, 12-16(2004)

74. QSAR Study on Inhibition of Brain 3-Hydroxy-anthranilic acid

(3-HAO): A Molecular Connectivity Approach
Vijay. K. Agrawal, Rashmi Sohgaura and Padmakar. V. Khadikar
Bioorg. Med. Chem., 9, 3295-3299 (2001)

75. Estimation of antitumor activity of sulfonimidamide analogous of oncolytic

sulfonylureas
Anupam Saxena, Vijay K. Agrawal, Padmakar V. Khadikar
Oxid. Commun. 26,9-13, (2003)

76. Thermal characterization of macrocyclic cation complexes:

Gadolinium (III) complex with Dibenz0-18-crown-6.
Padmakar V. Khadikar and Vijay K. Agrawal
Oxidation Communication, 28, 810-818 (2005).

77. Synthesis, Characterization and spectral studies on organometalic ruthenium

compounds with N, P, As and Sb donor ligands,

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 Subodh Kumar, P.V. Khadikar, R.K. Mehta and Vijay K. Agrawal.
Oxi. Commun. 26, 448-454 (2003).
78. Synthesis and esr studies on pyridine adducts of copper(II) salicylhydroxamates
Padmakar V. Khadikar, Vijay K. Agrawal
Oxi. Comm. 26, 619-626 (2003)

79 QSAR Studies on Carbonic Anhydrase Inhibitors:A Case of Ureido and Thioureido

Derivatives of Aromatic / Heterocyclic Sulfonamides
Vijay K. Agrawal, Ruchi Sharma and Padmakar V. Khadikar
Bioorg. Med. Chem., 10, 2993-2999 (2002).

80. QSAR Studies on Biological Activity of Piritrexim analogues against pcDHFR

Vijay K. Agrawal, Rashmi Sohgaura & P.V. Khadikar
Bioorg. Med. Chem. 10, 2919-2926 (2002).

81. Quantitative Structure-Activity Relationship Studies On 5-Phenyl-3-Ureeido-1,5-

Benzodiazepine as Cholecystokinin-A Receptor Antagonists
Vijay K. Agrawal, Ruchi Sharma and Padmakar V. Khadikar
Bioorg. Med. Chem. 10, 3571-3581(2002).

82. On the Topological Evidences for Modelling Lipophilicity

Vijay K. Agrawal , Jyoti Singh and Padmakar V. Khadikar
Bioorg. Med. Chem. 10, 3981-3996 (2002).

83. Prediction of Lipophilicity of Polyacenes Using Quantitative Structure Activity

Relationships
Padmakar V. Khadikar ,Vijay K. Agrawal, Sneha Karmarkar
Bioorg. Med. Chem. 10, 3499-3507, (2002).

84. Modelling of Carbonic Anhydrase Inhibitory Activity of Sulfonamides Using

Molecular Negentropy
Vijay K Agrawal, and Padmakar V Khadikar
Bioorg. Med. Chem. Letters 13, 447-453 (2003).

85. Use of distance-based topological indices in modelling antihypertensive activity : Case of

2-aryl-imino-imidazolidines
Vijay K. Agrawal, Sneha Karmarkar, P. V. Khadikar , Shachi Shrivastava, I..Lukovits
Indian J. Chem. (Sec A) 42A, 1426-1435 (2003).

86. QSAR Study on Tadpole Narcosis

Vijay K. Agrawal, S. Chaturvedi, P.V. Khadikar, M.H. Abraham
Bioorg. Med. Chem. 11:20:4523-4533(2003).

87. Equalized electronegativity and topological indices: Application for modeling toxicity
of nitrobenzene derivatives
Padmakar V.Khadikar, Istvan Lukovits, Vijay K.Agrawal, Shachi Shrivastava,
Mona Jaiswal, Ivan Gutman , Sneha Karmarkar & Anjali Shrivastava
Indian J. Chem. (Sec A)- 42A, 1436-1441 (2003).
88. Topological Approach to Quantifying Molecular Lipophilicity of Heterogeneous Set of
Organic Compounds
Vijay K. Agrawal, Shahnaz Bano and Padmakar V. Khadikar
Bioorg. Med. Chem. 11, 4039-4047 (2003).

89. QSAR Study on 5,6-Dihydro-2-pyrones as HIV-1 Protease Inhibitors

Vijay K Agrawal, Jyoti Singh , Krishna C Mishra and Padmakar V. Khadikar
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 Arkivoc (ii) 162-177, (2006).

90. Quantitative Structure-Activity Relationship Studies on

Sulfanilamide Schiff Bases: CA Inhibitors
V.K. Agrawal, Shachi Shrivastava, P.V. Khadikar and C.T. Supuran
Bioorg. Med. Chem. 11, 5353-5362 (2003).

91. Topological Designing of 4-Piperazinylqunazolines as Antagonists of PDGFR

Tyrosine Kinase Family
Padmakar V. Khadikar, Anjali Srivastava,Vijay K. Agrawal and Shachi Srivastava
BMCL 13,3009-3014 (2003).

92. QSAR Study on 5-Lipoxygenase Inhibitors Using Distance-Based Topological

Indices
Vijay K. Agrawal, Shahnaz Bano and Padmakar V. Khadikar
Bioorg. Med. Chem. 11, 5519-5527 (2003).

93. QSAR study on carbonic anhydrase inhibitors: aromatic/heterocyclic

sulfonamides containing 8-quinoline-sulfonyl moieties, with topical activity as
antiglaucoma agents.
Vijay K. Agrawal, Bano, C.T. Supuran and Padmakar V. Khadikar
Eu. J. Med. Chem., 39, 593-600 (2004).

94. QSAR Study on Phosphoramidothioate (Ace) Toxicities in Housefly

Vijay K. Agrawal, Shachi Srivastava and Padmakar V. Khadikar
Molecular Diversity, 8, 834-819 (2004).

95. QSAR Study on the Estimation of Lipophilicity Using Distance-Based Topological

Indices: Dominating Role of Equalized Electronegativity
Vijay K. Agrawal, Jyoti Singh, Madhu Gupta and Padmakar V. Khadikar
Bioorg. Med. Chem. 13,2109-2120 (2005).

96. Quantitative structure-activity relationship studies on some antiviral and

Cytostaic Agents
Chhaya Pandey, K.P. Dwivedi, Gopal Das Yadav, V.K. Singh, A.K. Srivastava and
V.K. Agrawal,
Indian J. Biochem. Biophys, 26,405(1989).

97. On the usefulness of different off-diagonal matrix elements in IOC- ω

Technique
D.K. Gupta, V.K. Singh, A.K. Srivastava, R.K. Gupta, A.K. Srivastava and
Vijay Agrawal
Indian J. Phys., 61B, 325 (1987).

98. Quantitative structure-activity relationship studies on some potential

antitumor agents I
D.K. Gupta, Arun Srivastava, R.K. Gupta, K.K. Tewari, A.K. Srivastava and
V.K. Agrawal,
Nat. Acad. Sci. Letters, 10, 279(1987).

99. Quantitative structure-activity relationship studies on some antiarrhythmic agents

D.K. Gupta, K.K. Tewari, Arun Srivastava, R.K. Gupta, A.K. Srivastava and V.K.
Agrawal,
Nat. Acad. Sci. Letters, 10, 239(1987).

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100. QSAR Study On Carbonic Anhydrase Inhibitors: Water-Soluble Sulfonamides
Incorporating β-Alanyl Moieties, Possessing Long Lasting-Intra Ocular Pressure
Lowering Properties -A Molecular Connectivity Approach
Vijay K. Agrawal, Jyoti Singh, Meghna Banerji, Madhu Gupta, Padmakar V.
Khadikar and Claudiu T. Supuran
Eur. J. Med. Chem. 40, 1002-1012 (2005).

101. QSAR Studies on Adenosine Kinase Inhibitors

Vijay K. Agrawal, Kamana Singh and Padmakar V. Khadikar
Med Chem Res. 13 (6,7) 479-496 (2004).

102. QSAR Study on Topically Acting Sulfonamides Incorporating GABA

Moieties: A Molecular Connectivity Approach
Vijay K Agrawal, Jyoti Singh, Padmakar V. Khadikar and Claudiu T. Supuran
Bioorg. Med. Chem. Letters. 16, 2044-2051, (2006).

103. Szeged index – Applications for drug modeling

Padmakar V. Khadikar,, Sneha Karmarkar, Vijay K. Agrawal, Jyoti Singh,
Anjali Shrivastava, Istvan Lukovits and Marcia V. Diudea
Letters in Drug Design & Discovery; 2, 604-624, (2005).

104. Topological molding of McGowan characteristic volume: Non-polar narcosis

Vijay K. Agrawal, Jyoti Singh, Sanjeev Chaturvedi , and Padmakar V. Khadikar
Bioinformatics Vol. III, 71-80 (2005).

105. QSAR Studies on Benzopyrans as Potassium Ion Channel Activators

Vijay K. Agrawal , Jyoti Singh, Madhu Gupta and Padmakar V. Khadikar, CT Supuran
Eur. J. Med. Chem. 41(3), 360-366 (2006).

106. QSAR study on cytotoxic activities of a series of HEPT analogues

Vijay K Agrawal, K.C. Mishra, J. Singh, P.V. Khadikar
Letters Drug Design & Discovery 3, 129-137, (2006).

107. The Topology of Molecule and Its Lipophilicity

Vijay K. Agrawal, Jyoti Singh, Bruno Louis and Padmakar V. Khadikar
Current Computer-Aided Drug Design, (CCADD), 2, 369-403 (2006).

108. QSAR of CAI, CAII, and CA IV Inhibitory Activities: Relative Correlation

Potential of Six Topological Indices
Padmakar V. Khadikar , Brian W.Clare , Alexandru T. Balaban , Claudiu T Supuran ,
Vijay K. Agarwal, Jyoti Singh, Ashok K. Joshi and Meenakshi Lakhwani
Roum. Rev. 5, 703-717 (2006)

109. Development of Quantitative structure activity relationship for a set of Carbonic

Anhydrase inhibitors Inhibitors: Use of Quantum and Chemical Descriptors
Padmakar V. Khadikar, Omar Deeb, Amal Jaber, Jyoti Singh, Vijay K. Agrawal,
Shalini Singh, Meenakshi Lakhwani
Letters in Drug Design & Discovery 3 , 622-635 (2006).

110. First and Novel QSAR Study on Murine Recombinant Isozyme mCAXIII :
Topological Vs Structural Descriptors
Jyoti Singh, Meenakshi Lakhwani, Padmakar V. Khadikar and
Vijay K. Agrawal and Claudiu T. Supuran
Arkivoc, XIV, 103-118 (2006)

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111. MODELING OF INHIBITORY ACTIVITIES OF SULFANIL-AMIDE SCHIFF’S
BASES USING PHYSICOCHEMICAL PROPERTIES
VIJAY K. AGRAWAL, JYOTI SINGH, ARUNENDRA PANDEY,
PADMAKAR V. KHADIKAR
Oxidation Communication, 29, 803-816 (2006).

112. QSPR Correlations of Half-wave Reduction Potentials of cata-Condensed

Benzenoid Hydrocarbons.
Jyoti Singh, Shalini Singh, Shahida Meer, Vijay K. Agrawal, Padmakar V.
Khadikar and Alexandru T. Balaban
ARKIVOC, XV, 1-16 2006.

113. QSAR Studies on some anti-HIV-1 Drugs : Deoxy analogues of Hept-1

Vijay K Agrawal, Jyoti Singh, Arunrndra Pandey, P.V. Khadikar
Oxidation Communication, 29, 803-816 (2006).

114. QSAR studies on the activation of the human carbonic anhydrase cytosolic
isoforms I and II and secretory isozyme VI with amino acids and amines
Jyoti Singh, Basheerulla Shaik,Shalini Singh, Sarla Sikhima, Vijay K. Agrawal,
Padmakar V. Khadikar , and Claudiu T. Supuran,
Bioorganic & Medicinal Chemistry 15 ,6501–6509, (2007)

115. QSAR STUDY ON OCTANOL-WATER PARTITIONING:DOMINATING

ROLE OF EQUALIZED ELECTRONEGATIVITY
Jyoti Singh, Vinay K. Dubey, Vijay K. Agrawal, Padmakar V. Khadikar
Oxidation Communication 1, 27-43, (2008).

116. Use of Topological as well as quantum chemical parameters in modeling

antimalarial activity of 2,4-diamino-6-quinazoline sulfonamides
Vijay K. Agrawal, Jyoti Singha, Sarvendra Singh, Padmakar V. Khadikar
Oxidation Communication 1, 2-17, (2008).

117. TOPOLOGICAL MODELLING OF HYDROPHOBICITY OF COMPOUNDS

EXHIBITING NARCOSIS
Jyoti Singh, Vijay K. Agrawal, B. Shaik, Sanjeev Chaturvedi and Padmakar V. Khadikar
Oxidation Communicatio, 31, 264-274, (2008).

118. Comparative QSAR Study on Para-substituted Aromatic Sulphonamides as

CAII Inhibitors : Information vs Topological (distance-based and
connectivity) Indices
Jyoti Singh, Basheerulla Shaik, Shalini Singh, Vijay K. Agrawal, Padmakar V.
Khadikar and Claudiu T. Supuran
Chemical Biology Drug Design-71, 244-259 (2008).

119. Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons: A QSAR

Investigation
Jyoti Singh, Shalini Singh, Basheerulla Shaik, Neena Sohani, Vijay K. Agrawal,
P. V. Khadikar
Chemical Biology Drug Design-71, 230-243 (2008).

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120. Topological Modeling of Mutagenicity of Aromatic and Heteroaromic
Amines in Salmonella typhimurium TA98: Role of Hydrophobicity and
Topological
Indices
Jyoti Singh, Vijay K. Agrawal, Padmakar V. Khadikar,
J. Indian Chem Soc.85, 517-535 (2008).

LIST OF Ph. D. AWARDED UNDER THE SUPERVISION OF

PROF. VIJAY K. AGRAWAL

1. Dr. Rajesh Kumar Srivastava (1994): Search for some new potential antimalarial drugs: A
quantum mechanical approach.
2. Dr. Mrs. Madhu Srivastava (1996): Quantitative structure-activity relationship studies on
some antitumour agents
3. Dr. Pradeep Mishra (1997): Quantitative structure-activity relationship studies on some
antiviral agents using regressin analysis
4. Dr. Sunil Kumar Soni (1998): Quantitative structure-activity relationship studies on some
antifungal agents
5. Dr. Sangeeta Sinha (1999): Theoretical designing of some antimalarial drugs using some
electronic parameters
6. Dr. Shahnaz Bano (2000): “Use of quantitative structure-activity relationship study in designing
some potential bio-active drugs
7. Dr. Suja Joseph (2000): Quantitative structure activity relationship studies on some anti -
inflamatary agents
8. Dr. Shailja Sachan (2000): Quantitative structure activity relationship studies on some
antihistaminic compounds
9. Dr. Rajneesh Chandra Srivastava (2001): QSAR studies on some antihypertensive agents
10. Dr. Sanjay Mishra: Some studies on water pollution due to mining activities around mining
area of Shahdol district. (2001)
11. Dr. Kamlesh Mishra (2001): QSAR. Studies on some anti-HIV agents
12. Dr. Neelu Singh (2001): QSAR studies on some sulfa drugs
13. Dr. Ravindra Shrivastava (2002): Topological modelling of activities of some drug
molecules
14. Dr. Ruchi Sharma (2002): QSAR studies on some sulfanilamide Schiff-base inhibitor
15. Dr. Sanjeev Chaturvedi(2002): QSAR studies on nonpolar narcosis
16. Dr. Rashmi Sohgaura (2003): On the use of topological indices in QSAR studies:
A case of antitumor drugs.
17. Dr. Jyoti Singh (2003): On topological modelling of QSAR : A multivariate analysis

16
18. Dr. Sarvendra Singh Baghel (2003): QSAR studies on some biologically active organic
compounds.
19. Dr. Shachi Shrivastava (2004): Topological prediction of toxicity of some organic
compounds
20. Dr. Mrs. Jyoti Singh (2004): Prediction of Transport Properties Using Molecular Descriptors.
21. Dr. Arunendra K. Pandey (2005): QSPR studies of some sulfa drugs
22. Dr. Krishna Chandra Mishra (2005): Topological modeling of some Anti-HIV drugs
23. Dr. Mrs. Jyoti Shrivastava (2005): Use of Molecular Descriptors in Blood Brain Distribution
24. Dr. Kamal Singh (2006) : Topological modelling of some protein kinase inhibitors.
25. Dr. Meghna Banerjee (2006): QSAR studies on some CA inhibitors: Sulfa Drugs
26. Dr. Izhar Ahmad (2007): On Biological evaluation of Hydroxamic Acid.

RESEARCH SCHOLAR SUBMITTED UNDER THE SUPERVISION OF

PROF. VIJAY K. AGRAWAL(2009)- 05

1. Vinay Kumar Dubey: Topological prediction of lipophilicity of some Drug.

Molecules.
2. Santosh Shukla: Computer Aided Modeling of Some Anti-hypertensive Drugs.

3. Bashirulla Shaik: Modeling Aquatic Toxicity by Using Topological Descriptors.

4. Mrs. Deepali Gupta: Prediction of Biological Activity of Some Organic Drug

Molecules.

5. Bruno Louis: Modeling of solubilities of some organic molecules.

Also guided 25 M.Phil. Students for their Projects.

40 BJ (MC) students for their Projects.

Curriculum Vitae
Of
Prof. (Dr.) Vijay K. Agrawal
M.Sc., D. Phil (Alld.) PGD (Tokyo), FICS, MNASc.

17
 Director,
National Institute of Technical Teachers’
Training & Research, Shamla Hills,
Bhopal-462002 (M.P.)
(Ministry of Human Resource Development, Govt. of India)

18