Experience

Neuron23
• United States
• Biotechnology Research
• 1 - 100 Employee
• Principal Scientist

  • Jun 2023 - Present


Simulations Plus, Inc.

• United States
• Software Development
• 1 - 100 Employee

• Principal Scientist

  • Nov 2021 - Jun 2023

• Senior Scientist II

  • Jan 2018 - Nov 2021

• Senior Scientist

  • Jan 2016 - Jan 2018



Novartis Institutes for BioMedical Research

• United States
• Pharmaceutical Manufacturing
• 700 & Above Employee

• Presidential PostDoctoral Fellow

  • Jul 2012 - Jan 2016

  * Built predictive QSPR models using machine learning methods (ANN, PLS and RF) for rat liver microsomal intrinsic clearance, and caco2 permeability. Modes were built using R and PYTHON * Developed novel “rational bioavailability design” approach using global sensitivity analysis of PBPK simulations using R to identify physicochemical parameters driving bioavailability during lead optimization * Devised a workflow for multi-parameter optimization (MPO) in design of biologically active molecules with good pharmacokinetic properties * Supported ongoing projects by predicting rat bioavailability of newly designed molecules using PBPK simulations, prioritizing compounds for animal studies Show less



Astraea Therapeutics

• Pharmaceutical Manufacturing
• 1 - 100 Employee

• Post Doctoral Fellow

  • May 2010 - Jun 2012

  # Identified novel Nociceptin Receptor (GPCR) modulators (submicromolar activity) by hybrid structure-based (homology model) and ligand-based virtual screening # Contributed to iterative efforts of lead optimization for opioid receptor modulators (micromolar to nanomolar; non-selective to selective) in collaboration with medicinal chemists # Proposed differential binding modes for Nociceptin receptor agonists and antagonists & designed analogs to successfully validate the hypothesis # Carried out computational alanine scanning of binding site residues of Nociceptin receptor and prioritized in vitro mutation experiment for validation Show less



University of Mississippi

• United States
• Higher Education
• 700 & Above Employee

• Graduate Research Assistant

  • Aug 2005 - May 2010

  # Elucidated the mechanism of resistance development by HBV DNA Polymerase against known inhibitors using comparative protein model # Predicted architectural & conformational changes in active site of homology model of Protoporphyrinogen Oxidase using MD simulations; experimentally confirmed by team of biochemists in USDA. # Designed & tested semisynthetic derivatives of latrunculin to comprehend protein-ligand interactions, using molecular docking, molecular dynamics simulations and binding energy calculations Show less



Dr. Reddy's Laboratories

• India
• Pharmaceutical Manufacturing
• 700 & Above Employee

• Research Associate

  • Feb 2003 - Jul 2005

  $ Virtual screening in search of novel leads with submicromolar affinity against raf-kinase, c-Src kinase using protein homology models $ Suggested modifications in existing COX-2 inhibitors to improve binding affinity $ QSAR, QSPR, ADME prediction of drug-like molecules $ Virtual screening in search of novel leads with submicromolar affinity against raf-kinase, c-Src kinase using protein homology models $ Suggested modifications in existing COX-2 inhibitors to improve binding affinity $ QSAR, QSPR, ADME prediction of drug-like molecules