BITS Pilani

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Dr. Vaibhav A. Dixit

Vaibhav A. Dixit

Ph. D., M.S. (Pharm.) in Medicinal Chemistry and B. Pharm.
Contact Details 
Phone: +91 1596 255652, Mob. No. +91-7709129400.
Employment History: Research and Academic Experience


Job title

Start date

End date


BITS Pilani, Pilani Campus

Assistant Professor

Aug 2018


In-charge of CADD facility, Practice School, development of drug metabolism and toxicity prediction models.


Associate Professor

Feb 2018

Aug 2018

Develop drug metabolism prediction models using quantum chemistry and PKPD modeling.

SPTM, SVKM’s NMIMS, Shirpur campus

Associate Professor

March 2016

Jan 2018

Setup computational and synthesis research facility, project submission to DST, CSIR and teaching.

Qualichem Laboratories

Sr. Chemist

Oct. 2015

Feb 2016

In-charge of instrument section for LC-MS/MS, GC-MS, HPLC-UV and spectrophotometry.

AstraZeneca, Macclesfield, UK


June 2013

June 2015

The design/synthesis of novel heterocycles.

Indian Institute of Science (IISc, Bangalore), INDIA


Dec. 2012

May 2013

Perform P450 modeling research work modeling support to other projects in the lab.

Gurunanak College of Pharmacy, Nari, Nagpur, Maharashtra, INDIA

Assistant Professor

July 2012

Dec 2012

Guiding M. Pharm. students for thesis work and teaching Pharm. Chemistry to B. Pharm. students.


Aug 2006

June 2007

Teaching Pharmaceutical Chemistry (organic and analytical), conducting practical sessions.






Ph. D. in Medicinal Chemistry


NIPER, S.A.S. Nagar, India


M. S. (Pharm) in Medicinal Chemistry


NIPER, S.A.S. Nagar, India


Graduate Aptitude Test in

Engineering (GATE), Pharmaceutical Sciences


Conducted by IIT, Delhi, Inida


B. Pharm.


Department of Pharmaceutical Sciences Nagpur University


Previous funds and awards

1)                   European Molecular Biology Organization (EMBO) short-term fellowship 2017: €3,957 fellowship+ €600 (travel grant).  2) University seed grant, SVKM’s NMIMS Deemed-to-be-University by UGC act. Rs. 1,00,000/-.  3) Industrial Postdoctoral Fellowship by AstraZeneca, UK. 4) Dr. DS Kothari Postdoctoral fellowship by University Grants Commission (UGC), New Delhi, India

Current grant income

Rs. 2,00,000/- per year under research initiation grant (RIG), Birla Institute of Technology and Science, Pilani (BITS Pilani), Pilani, Rajasthan 333031, India.


1.    Dixit, V.A., Lal, L. A.; Agrawal, S. R. Recent advances in the prediction of non-CYP450-mediated drug metabolism. WIREs Comp. Mol. Sci. 2017, doi: 10.1002/wcms.1323.

2.    Dixit, V. A.; Goundry, W. R. F., Tomasi, S. C=C/B-N isoelectronic substitution in five membered heterocycles. A computational study.  New. J. Chem. 2017, doi: 10.1039/C7NJ00950J.

3.    Joshi, D.; Mittal, D. K.; Shukla, S.; Srivastav, S. K.; Dixit, V. A. Curcuma longa Linn. extract and curcumin protect CYP 2E1 enzymatic activity against mercuric chloride-induced hepatotoxicity and oxidative stress: A protective approach. Exp. and Toxicol. Pathol. 2017 doi: 10.1016/j.etp.2017.02.009.

4.    Joshi, D.; Srivastav, S. K.; Belemkar, S.; Dixit, V. A. Zingiber officinale and 6-gingerol alleviate liver and kidney dysfunctions and oxidative stress induced by mercuric chloride in male rats: A protective approach. Biomed. Pharmacother. 2017, 91, 645-655.

5.    Dixit, V.A.; Deshpande, S.S. Advances in computational prediction of regioselective and isoform specific drug metabolism catalyzed by de CYP450s.  ChemistrySelect 2016, 1, 6571-6597.

6.     Dixit, V. A.; Rathi, P. C., Gohlke, H., Petersen, R. K., Kristiansen, K., Chakraborti, A. K., Bharatam, P. V. Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators. Eur. J. Med. Chem. 2016, 108, 423-435.

7.     Dixit, V. A.; Bhatia, S.; Jangra, H.; Bharatam, P. V. Formation/Fate of Reactive Metabolites from General Anesthetics and A Comparison of Toxic and Non-Toxic Analogues: A DFT Study. Drug Metab. Lett. 2012, 6, 221-234.

8.     Taxak, N.; Dixit, V. A.; Bharatam, P. V. Density Functional Study on the Cytochrome Mediated S-Oxidation: Identification of Crucial Reactive Intermediate on the Metabolic Path of Thiazolidinediones. J. Phys. Chem. A. 2012, 116, 10441–10450.

9.     Dixit, V. A.; Bharatam, P. V. Toxic metabolite formation from Troglitazone (TGZ): New Insights from DFT study. Chem. Res. Toxicol. 2011, 24, 1113-1122.

10. Malik, S.; Dixit, V. A.; Bharatam, P. V.; Kartha, K. P. R. A simple, mild, and regioselective method for the benzylation of carbohydrate derivatives promoted by silver carbonate. Carbohydr. Res. 2010, 345, 559-564.

11. Chimni, S. S.; Bala, N.; Dixit, V. A.; Bharatam, P. V. Thiourea catalyzed aminolysis of epoxides under solvent free conditions. Electronic control of regioselective ring opening. Tetrahedron 2010, 66, 3042-3049.

12. Dixit, V. A.; Rathi, P. C.; Bharatam, P. V. Intramolecular dihydrogen bond: A new perspective in Lewis acid catalyzed nucleophilic epoxide ring opening reaction. J. Mol. Struct.: Theochem 2010, 962, 97-100.

13.              Dixit, V. A.; Bharatam, P. V. SAR and Computer-Aided Drug Design (CADD) approaches in the discovery of Peroxisome Proliferator-Activated Receptor γ (PPARγ) activators: A perspective. J. Compt. Med. 2013, Article ID 406049.

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