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Manish Kumar Gupta Email & Phone Number
Senior Scientist
at
Healios Labs LLC
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✓ Verified August 2026
3 data sources
Profile completeness 86%
Current company
Role
Senior Scientist
Location
Bridgewater, New Jersey, United States
Company size
Who is Manish Kumar Gupta? Overview
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Quick answer
Manish Kumar Gupta is listed as Senior Scientist at Healios Labs LLC, a with 6 employees, based in Bridgewater, New Jersey, United States. AeroLeads shows a matched LinkedIn profile for Manish Kumar Gupta.
Manish Kumar Gupta previously worked as Analytical Scientist at Healios Labs and Professor & Research Coordinator at Sgt University. Manish Kumar Gupta holds Phd, Computer Aided Drug Design from Central Drug Research Institute, Lucknow.
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Healios Labs LLC
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Profile bio
About Manish Kumar Gupta
Dr. Manish is an enthusiastic and passionate computational chemistry expert with nearly 20 years of experience in structure-based / ligand-based drug design approaches and chemoinformatics. Authored more than 60 publications in high-impact journals and received several awards and research grants for research accomplishments. He is recognized as a person who thrives independently and collaborates with colleagues in a fast-paced, creative, and diverse team environment. Dr. Manish loves managing cross-functional teams and solving research-based problems.Strengths/ Expertise:• Extensive theoretical and practical knowledge of Structure-Based Drug Design (SBDD), virtual screening, ligand-receptor docking, homology modeling, Molecular Dynamics (MD) simulation, binding free energy calculation• Predictive modeling -QSAR, pharmacophore mapping, molecular fingerprints, machine learning, structural property calculation using DFT and ab initio approaches • Experience with multiple molecular modeling and cheminformatics platforms -MOE, Sybyl, MDS, GOLD, Autodock-Vina, Modeller, Hyperchem, Gromacs, Amber, Gaussian, SYSTAT, GMDH-Shell, etc., working on window or Linux OS• Expertise in statistical modelings such as MLR, PLS, and Artificial Neural Networks (ANN). Programing and machine learning framework in Python• Experience with Linux, Mac, and Windows platforms • Knowledge of drug discovery and development, biochemistry, HTS, cell-based assays• In-depth understanding of medicinal chemistry, SAR, drug metabolism, and excretion• Demonstrates problem-solving skills. Works effectively independently as well as in a team.• Excellent verbal and written communication skills, presentation, and organization skillsKeywords:Structure-based Drug Design, Computational Chemistry, Chemoinformatics, Molecular Modeling, Docking, Protein Modeling, Molecular Dynamics Simulation, Binding Free Energy, Virtual screening, DFT & ab initio, QSAR, Predictive Modeling, Pharmacophore mapping, Lead Identification-Optimization, structure-property relationship, Medicinal Chemistry
Current workplace
Manish Kumar Gupta's current company
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Healios Labs Llc
11 roles
Manish Kumar Gupta work experience
A career timeline built from the work history available for this profile.
Analytical Scientist
Current
Healios Labs
I am engaged in method development and validation protocols for API and finished products. Preparing technical documents, including method development/validation protocols and reports, analytical testprocedures, technical reports, change controls to support FDA submissions
Jan 2024 - Present
Professor & Research Coordinator
• Worked on structure-based design of xanthine oxidase inhibitors for the treatment of gout and uric acid-related disorders using virtual screening, SBDD, and Molecular Dynamics simulation approach• Developed selective aurora-kinase A as anticancer agents • Supervised graduate and Ph.D. research work
Jan 2020 - Jan 2023
Associate Fellow
• Development of homology models, docking, and MD simulation study on ABA receptors to understand the mechanism of receptor activation and inhibition by specific ligands • Development of QSAR/QSTR models for toxicity prediction of nanomaterials using the Artificial Neural Network approach
Feb 2017 - Jan 2020
Professor And Fast-Track Young Scientist
• Docking studies on xanthine oxidase inhibitors, tubulin polymerization inhibitors and cholesterol esterase inhibitors• QSAR study on 4-alkynyldihydrocinnamic acid analogs as free fatty acid receptor 1 agonists and antidiabetic agents• Exhibited scientific growth through paper presentations at conferences, publishing research articles, and review articles
May 2014 - Dec 2016
Associate Professor & Fast-Track Young Scientist
• QSAR model development for antimalarial, antitubercular, HIV-1 integrase, and LIM-Kinase inhibitory activities• Docking studies on xanthine oxidase inhibitors and tubulin polymerization inhibitors• Homology modeling of human NK-1 receptor and MD simulation study • Research proposal developments for external funding, papers, and other publications. Teach & mentor graduate students and published their research
Dec 2010 - Apr 2014
Assistant Professor
• QSAR model development for antimalarial, antitubercular, HIV-1 integrase, and LIM-Kinase inhibitory activities• Docking studies on xanthine oxidase inhibitors and tubulin polymerization inhibitors• Homology modeling of human NK-1 receptor and MD simulation study • Research proposal developments for external funding, papers and other publications. Teach & mentor graduate students and published their research
Jun 2008 - Nov 2010
Postdoctoral Scientist (Boyscast Fellow)
Structural Biology Centre, University Of Kansas
• Built skills in Molecular Dynamics (MD) simulation study • Developed models of plasmodium protein farnesyltransferase (Pf-PFTase) and investigated the mechanism of Pf-PFTase inhibition through MD simulation study
Sep 2011 - Mar 2012
Senior Research Fellow
Central Drug Research Institute, Lucknow
• Development of variable selection protocol in high-dimensional QSAR studies• QSAR and modeling studies of a diverse classes of antimalarial and antitubercular agents• Publications in peer-reviewed journals including Journal of Chemical Information and Modeling and Journal of Medicinal Chemistry
Apr 2005 - Jun 2008
Research Fellow
Central Drug Research Institute, Lucknow
• Developed expertise in MLR, PLS, GA, structure optimization, pharmacophore modeling• QSAR and modeling studies of diverse classes of antimalarial and antitubercular agents
Oct 2003 - Mar 2005
Lecturer
• Delivered medicinal chemistry and organic chemistry lectures to bachelor students
Sep 2001 - Sep 2003
3 education records
Manish Kumar Gupta education
Phd, Computer Aided Drug Design
Central Drug Research Institute, Lucknow
Master'S Degree, Medicinal And Pharmaceutical Chemistry
Dr. Hari Singh Gour University Sagar (Mp) India
B. Pharm., Pharmaceutical Sciences
Dr. Hari Singh Gour University Sagar (Mp) India
FAQ
Frequently asked questions about Manish Kumar Gupta
Quick answers generated from the profile data available on this page.
What company does Manish Kumar Gupta work for?
Manish Kumar Gupta works for Healios Labs LLC.
What is Manish Kumar Gupta's role at Healios Labs LLC?
Manish Kumar Gupta is listed as Senior Scientist at Healios Labs LLC.
Where is Manish Kumar Gupta based?
Manish Kumar Gupta is based in Bridgewater, New Jersey, United States while working with Healios Labs LLC.
What companies has Manish Kumar Gupta worked for?
Manish Kumar Gupta has worked for Healios Labs Llc, Healios Labs, Sgt University, Teri - The Energy And Resources Institute, and Lloyd Institute Of Management & Technology.
How can I contact Manish Kumar Gupta?
You can use AeroLeads to view verified contact signals for Manish Kumar Gupta at Healios Labs LLC, including work email, phone, and LinkedIn data when available.
What schools did Manish Kumar Gupta attend?
Manish Kumar Gupta holds Phd, Computer Aided Drug Design from Central Drug Research Institute, Lucknow.
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