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Hire Dr. Dinesh S.

India

USD 14 /hr

PhD Medicinal Chemist | MD Simulations & GPU Docking | FBDD-LBDD | Nitrosamine Risk | Formulation Strategy Assessment

Profile Summary

Expertise: Bridging Medicinal Chemistry & Computational Simulations I am a PhD Medicinal Chemist with over 2 years of industrial experience specializing in the design and optimization of small molecules. My unique value proposition lies in my "Hybrid" background: I spent my doctoral research synthesizing and evaluating compounds in-vitro, which allows me to ensure my in-silico designs are actually synthetically feasible and biologically relevant. Core Computational Competencies: 1. Molecular Dynamics: Specialized in high-performance MD pipelines (GROMACS/MTTK/Parrinello-Rahman) for protein-ligand stability and binding free energy calculations. 2. Structure-Based Drug Design (SBDD): Advanced Docking, FBDD, and LBDD workflows. 3. Automation: Developing custom Python and Bash scripts to streamline virtual screening and data analysis. Industrial Impact & Problem Solving: 1. Therapeutic Experience: Led design/optimization projects for Malaria, Mycobacteria (TB), and Oncology targets. 2. Nitrosamine Risk Assessment: I developed a proprietary predictive pipeline to identify carcinogenic nitrosamine formation tendencies in molecules, helping firms stay compliant with modern safety regulations. 3. Formulation Support: I designed application to help formulation scientist to take inform decision for formulating biosimilar or a novel molecule. Scientific Credentials & Impact: 1. Peer-Reviewed Research: I have 8 peer-reviewed publications in high-impact journals, focusing on medicinal chemistry, molecular modeling, and synthesis. 2. Verified Expertise: My publication record, including work on molecular dynamics, synthesis, and bio-evaluation can be verified via my ORCID or profile. 3. Peer Recognition: My work bridges the gap between theoretical modeling and practical, lab-tested results, ensuring that my consultancy advice is grounded in proven science.

Subject Matter Expertise

• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Computational Chemistry
• ☆ Data Analysis
• ☆ Computer Simulation/Computational Modeling
• ☆ Drug Discovery
• ☆ High Throughput Screening (HTS)
• ☆ Drug Target Identification
• ☆ Hit-to-Lead & Lead Optimization
• ☆ Medicinal Chemistry
• ☆ Drug Design
• ☆ Structure-Activity Relationship (SAR) Studies
• ☆ Drug Development
• ☆ Drug Formulation
• ☆ Small Molecule Drug Development
• ☆ Drug Stability Testing
• ☆ Preclinical ADME/PK/PD
• ☆ Drug-Drug Interactions

Services

• Research
• Consulting
• Data & AI
• Product Development

Research Feasibility Study, Technology Scouting

Consulting Healthcare Consulting

Data & AI Algorithm Design-Non ML

Product Development Formulation, Stability/Shelf Life Testing, Product Validation, Manufacturing

Work Experience

Junior Scientist 2

Aganitha AI

February 2024 - Present

Education

PhD (Medicinal Chemistry)

National Institute of Pharmaceutical Education and Research

February 2019 - Present

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Dinesh Parshuram Satpute, Urjita Shirwadkar, Anil Kumar Tharalla, Sangita Dattatray Shinde, Gargi Nikhil Vaidya, Swarali Joshi, Priyanka Patel Vatsa, Alok Jain, Abhishek A Singh, Rachana Garg, et al.(2023). Discovery of fluorinated 2‑Styryl 4(3H)-quinazolinone as potential therapeutic hit for oral cancer . Bioorganic & Medicinal Chemistry. 81. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 117193. Elsevier {BV}

Dinesh Parshuram Satpute(2022). Computational Biology of BRCA2 in Male Breast Cancer, through Prediction of Probable nsSNPs, and Hit Identification . ACS Omega. American Chemical Society ({ACS})

Gargi Nikhil Vaidya and Shyam Kumar Lokhande and Sangita Dattatray Shinde and Dinesh Parshuram Satpute and Garvita Narang and Dinesh Kumar(2022). Water enabled, nickel-catalyzed highly chemoselective C-allylation of (NH)-indoles employing alcohols . Green Chemistry. Royal Society of Chemistry ({RSC})

Vaidya, G.N., Lokhande, S.K., Shinde, S.D., Satpute, D.P., Narang, G., Kumar, D.(2022). Water enabled, nickel-catalyzed highly chemoselective C-allylation of (NH)-indoles employing alcohols . Green Chemistry. 24. (12). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4921-4927.

Shinde, S.D., Satpute, D.P., Behera, S.K., Kumar, D.(2022). Computational Biology of BRCA2 in Male Breast Cancer, through Prediction of Probable nsSNPs, and Hit Identification . ACS Omega. 7. (34). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 30447-30461.

Dinesh Parshuram Satpute, Gargi Nikhil Vaidya, Shyam Kumar Lokhande, Sangita Dattatray Shinde, Shivkanya Madhavrao Bhujbal, Deep Rohan Chatterjee, Pooja Rana, Ashwini Venkatesh, Mithilesh Nagpure, Dinesh Kumar(2021). Organic reactions in aqueous media catalyzed by nickel . Green Chemistry. 23. (17). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6273--6300. Royal Society of Chemistry ({RSC})

Satpute, D.P., Vaidya, G.N., Lokhande, S.K., Shinde, S.D., Bhujbal, S.M., Chatterjee, D.R., Rana, P., Venkatesh, A., Nagpure, M., Kumar, D.(2021). Organic reactions in aqueous media catalyzed by nickel . Green Chemistry. 23. (17). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6273-6300.

Vaidya, G.N., Rana, P., Venkatesh, A., Chatterjee, D.R., Contractor, D., Satpute, D.P., Nagpure, M., Jain, A., Kumar, D.(2021). Paradigm shift of “classical” HDAC inhibitors to “hybrid” HDAC inhibitors in therapeutic interventions . European Journal of Medicinal Chemistry. 209.

Gargi Nikhil Vaidya, Pooja Rana, Ashwini Venkatesh, Deep Rohan Chatterjee, Darshan Contractor, Dinesh Parshuram Satpute, Mithilesh Nagpure, Alok Jain, Dinesh Kumar (2020). Paradigm Shift of “Classical” HDAC Inhibitors to “Hybrid” HDAC inhibitors in Therapeutic Interventions . European Journal of Medicinal Chemistry.

(2020). Structure Ligation Relationship of Amino Acids for the Selective Indole C‐H Arylation Reaction: L‐Aspartic acid as Sustainable Alternative of Phosphines Ligands . Advanced Synthesis & Catalysis.

(2020). Micellar catalysis enabled synthesis of indolylbenzothiazoles and their functionalization via Mn(II)-catalyzed C2–H amination using pyridones . Tetrahedron Letters.

Lokhande†, S.K., Vaidya†, G.N., Satpute, D.P., Venkatesh, A., Kumar, S., Kumar, D.(2020). Structure Ligation Relationship of Amino Acids for the Selective Indole C−H Arylation Reaction: L-Aspartic acid as Sustainable Alternative of Phosphine Ligands . Advanced Synthesis and Catalysis. 362. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2857-2863.

PREPRINT

Dinesh Parshuram Satpute(2022). The Rise and Fall of Hydroxychloroquine (HCQ) in COVID Era: A Therapeutic Journey and Synthetic Progress . []. American Chemical Society ({ACS})

OTHER

Kumar, D., Vaidya, G.N., Venkatesh, A., Chatterjee, D.R., Rana, P., Nagpure, M., Satpute, D.P., Lokhande, S., Kalia, K.(2022). The Rise and Fall of Hydroxychloroquine (HCQ) in COVID Era: A Therapeutic Journey and Synthetic Progress . ChemRxiv.