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Computational Drug Discovery Scientist | PhD Organic Chemistry | Molecular Docking | ADMET | DFT | Anti-Cancer Research

Profile Summary

PhD in Organic Chemistry (University of Madras) with 8+ years of hands-on experience in Computational Drug Discovery. My Doctoral Research focused on DFT and Ab-initio based Molecular Characterization of Anti-Cancer Drugs, combining Quantum Chemical Analysis with Molecular Docking and ADMET profiling. I offer end-to-end in-silico drug discovery support: → Target-based Virtual Screening → Molecular Docking and Hit Identification → Quantum Chemical Characterization (DFT, MP2, Ab-initio) → ADMET/Toxicity profiling and filtering → Drug-likeness and SAR analysis → Computational Toxicology Screening Published in peer-reviewed journals (Journal of Indian Chemical Society, Turkish Computational and Theoretical Chemistry). Presented at 3 International Conferences. Available for project-based consulting in Pharmaceutical Drug Discovery, Agrochemicals and Cosmetic Ingredient Safety Screening.

Subject Matter Expertise

• ☆ Molecular Docking
• ☆ Computational Chemistry
• ☆ Drug Discovery
• ☆ Drug Target Identification
• ☆ Hit-to-Lead & Lead Optimization
• ☆ Structure-Activity Relationship (SAR) Studies
• ☆ Preclinical ADME/PK/PD

Services

• Writing
• Research
• Consulting
• Data & AI

Writing Technical Writing, General Proofreading & Editing

Research User Research, Feasibility Study, Gap Analysis, Scientific and Technical Research, Systematic Literature Review

Consulting Scientific and Technical Consulting

Data & AI Data Visualization, Data Cleaning, Data Processing, Data Insights

Work Experience

Work information not provided.

Education

Doctor of Philosophy (Ph.D)

University of Madras - India

April 2015 - February 2023

Doctor of Philosophy (Chemistry)

University of Madras

April 2015 - February 2023

Master of Science (Organic Chemistry)

Sri Venkateswara University

June 2011 - April 2013

M.Sc (Master of Science)

Sri Venkateswara University - India

June 2011 - April 2013

Bachelor of Science

Sri Venkateswara University - India

June 2008 - April 2011

Bachelor of Science (Biotechnology, Chemistry and Computer Applications)

Sri Venkateswara University

June 2008 - April 2011

Certifications

• AI for Chemistry

  IITM Pravartak Technologies Foundation

  May 2025 - Present

Publications

JOURNAL ARTICLE

Anaridha S., Mohamed IMRAN P K, Khaja MOHİDEEN A, Salım MEERAN I, Shabeer T. K. (2023). Computational analysis using ADMET profiling, DFT calculations and molecular docking of two anti-cancer drugs . Turkish Computational and Theoretical Chemistry.

Comparative theoretical analysis using DFT & MP2 calculations, ADMET profiling and docking studies of the drug telotristat ethyl S. Anaridha, P.K. Mohamed Imran, I. Salim Meeran, T.K. Shabeer, Comparative theoretical analysis using DFT & MP2 calculations, ADMET profiling and docking studies of the drug telotristat ethyl, Journal of the Indian Chemical Society, Volume 98, Issue 12, 2021, 100248, ISSN 0019-4522, https://doi.org/10.1016/j.jics.2021.100248 . Journal of the Indian Chemical Society.