0000-0003-0500-1080 About
Currently I am working as Group Scientist in Procter & Gamble (P&G) Beauty Innovation Development Center, Singapore. I have done PhD in Computational Chemistry/ Molecular modeling and Master's in Organic chemistry.
I am leading the scientists & researcher group in P&G for skin/scalp hydration and barrier regeneration/protection from molecular modeling to in-vitro to in-vivo demonstration of technology efficacy by evaluating the mechanism of action.
I have worked on Natural Product isolation and semi-synthesis during the research internship in CIMAP-Lucknow, after my post-graduation in organic chemistry. My doctoral thesis title was “Computational Study of Dual Binding Site Acetylcholinesterase Inhibitors for Alzheimer’s Disease”. The work was related to screening, designing and ADME/T property analysis of novel, potentially more effective classes of dual binding site Acetylcholinesterase (AChE) inhibitors using various in silico techniques like QSAR(Quantitative Structure Activity Relationship), Pharmacophore mapping, Molecular Docking, Molecular Dynamics (MD), Virtual Screening, Fragment based approaches for both the anti-aggregating Aβ and anti-cholinesterase effect.
Employment
Employment history is unavailable.
Education
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National Institute of Pharmaceutical Education and Research Doctoral2007 - 2011
Projects & Funding
Projects & funding information is unavailable.
Publications (18)
- Enhancing Niacinamide Skin Penetration by Other Skin Brightening Agents: a Molecular Dynamics Simulation Study Save
- Enhancing Niacinamide Skin Penetration via Other Skin Brightening Agents: A Molecular Dynamics Simulation Study Save
- Predicting the Antifungal Activity of Small Organic Compounds on Aspergillus niger Mold using Molecular Dynamics Simulations Save
- Sensing the Changes in Stratum Corneum Using Fourier Transform Infrared Microspectroscopy and Hyperspectral Data Processing Save
- Palmitoylation enhances short polar peptide permeation across stratum corneum lipid bilayer: A molecular dynamics study Save
- Protonation State of a Bioactive Compound Regulates Its Release from Lamellar Gel-Phase Bilayers Save
- Penetration of oils into hair Save
- Evaluation of polymer–preservative interactions for preservation efficacy: molecular dynamics simulation and QSAR approaches Save
- Biomimetic Stratum Corneum Liposome Models: Lamellar Organization and Permeability Studies Save
- Dual Binding Site and Selective Acetylcholinesterase Inhibitors Derived from Integrated Pharmacophore Models and Sequential Virtual Screening Save