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Appointment of Senior Research Fellow LC-MS/MS facility at the SPPSPTMFree Information Session on B.Pharm. + MBA


IPSCON - 2017 Program Coveragenirf-ranking-nmims-sppsptm-2018-1-news

SVKM’s NMIMS, SPPSPTM is ranked 9th in the country as per NIRF 2018 India


Chancellors Challenge Winners 2018


Faculty has been awarded EMBO Fellowship


Faculty have received an International Grant under GCC


Best Placement Brochure Award 


Best Institute in Pharmacy Award by DNA Innovative Education Leadership Awards

Dr. Vaibhav Dixit

Vaibhav Anil Dixit

Associate Professor



Medicinal, Computational chemistry, Drug Metabolism and Toxicity

Email Id

Phone No.

022-42332000 (Extn- 2018)


Total in years 6
(Industry – 2.5 years, Academics- 3.5 years)

During my M.S. and Ph. D. at NIPER, SAS Nagar, I have developed expertise in drug design, organic synthesis, and applications of quantum chemistry in chemical reaction/ kinetics, drug metabolism prediction and properties of novel boron containing compounds. These skills were later applied in explaining the control of redox-potentials, drug metabolism and drug-drug interactions during my first Postdoc at IISc, Bangalore (unpublished data). At AstraZeneca, UK I have investigated properties of novel five membered azaborole heterocycles both theoretically and experimentally. I have also reviewed recent methods of predicting drug metabolism catalyzed by CYP450 and non-CYP450 enzymatic systems. Toxicity of selected phenolic natural products have been investigated using WebMO/ GAMESS programs. Currently I am involved in developing drug toxicity and metabolism prediction models using novel toxicity indices and machine learning methods.

Interest areas:

  • Drug Metabolism prediction. 
  • Drug Toxicity prediction. 
  • Applications of quantum chemistry 
  • Medicinal Chemistry and Drug Design


  • Publications – 14 (International- 14)
  • Book Chapters – 1 
  • Presentations – 4 (International- 1, National- 3)

Conferences/Workshops/Seminars attended - 3

1. “Studies on the Hepatotoxicity of Phenolic Natural Products” 1st Indian conference of the International Society for Study of Xenobiotics (ISSX). 1-3 September 2016 at JN Tata Auditorium, Indian Institute of Science, Bangalore.
2. “Toxic Metabolite Formation from Troglitazone (TGZ): New Insights from a DFT Study and Design of Potentially Non-Toxic Analogues” An international conference on “Applied Theory on Molecular Systems (ATOMS) 2011” 2-5th November 2011 at IICT, Hyderabad, India.
3. “Design and Synthesis of Y-Shaped PPAR-γ activators”, at Chemical Research Society of India, North Zone meeting, September 22nd to 24th, 2011 Jammu, India.

Academic activities

He has guided 2 M.Pharm. students for their research projects.


  • Postdoctoral Fellowship, AstraZeneca, Macclesfield, UK, 2013-2015 
  • Dr. D. S. Kothari Postdoctoral Fellowship, 2012-2013. 
  • UGC-CSIR NET 2007 – Lectureship. 
  • GATE-2004 conducted by IIT, Delhi.

Professional Memberships

Member of Royal Society of Chemistry (MRSC)

Recent Publications

  • 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. 
  • 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. 
  • 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. 
  • 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. 
  • 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.
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