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Ajay Wagh - Assistant Professor

Dr. Vaibhav A. Dixit

Associate Professor

M.S. (Pharm.) in Medicinal Chemistry, 
Ph.D. in Medicinal Chemistry


Medicinal, Computational, Organic and Pharmaceutical Chemistry

Interest Areas

Drug Design, Drug Metabolism, Applications of quantum chemistry and molecular modeling to problems in medicinal and organic chemistry.

Professional Activity

Postdoc at Pharmaceutical Development, AstraZeneca, Macclesfield, UK (2013).

Postdoc at Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore (UGC-Dr. D.S.Kothari PDF fellowship 2012).


Dixit, V. A.; Goundry, W. R. F., Tomasi, S. C=C/B-N isoelectronic substitution in five membered heterocycles. A computational study. J. Comp. Chem. (manuscript submitted).

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.

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.

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.

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

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.

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.

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.

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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