プロフィール詳細

プロジェクトを作成

★★★★★

☆☆☆☆☆

★★★★★

☆☆☆☆☆

Dr. Shubham S.に依頼

United States

PhD Medicinal Chemist | Small-Molecule Drug Design, Synthesis & Computational Chemistry

プロフィール概要

I am a PhD-trained medicinal chemist with 10+ years of research experience in small-molecule drug discovery, combining synthetic organic chemistry with structure- and ligand-based drug design. My expertise includes lead identification, SAR optimization, molecular docking, molecular dynamics simulations, and in silico ADMET profiling. I have designed, synthesized, and computationally validated novel inhibitors targeting kinases (PI3K, Akt, JAK, PIM, VEGFR), CNS targets, and infectious disease targets, with 30+ peer-reviewed publications in international journals. I support startups, academic groups, and biotech companies with drug design strategy, computational screening, synthesis planning, and scientific writing.

専門分野

• ☆ Materials Science & Engineering
• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Structural Chemistry
• ☆ Green Chemistry
• ☆ Computational Chemistry
• ☆ Biochemistry
• ☆ Biochemical Assays
• ☆ Structural Biology
• ☆ Molecular Biology
• ☆ Kinases
• ☆ Neuroscience
• ☆ Computational Neuroscience
• ☆ Biophysics
• ☆ Biotechnology & Bioengineering
• ☆ Applied Chemistry
• ☆ Chemical Biology
• ☆ Pharmacy
• ☆ Clinical Pharmacy
• ☆ Drug Discovery
• ☆ High Throughput Screening (HTS)
• ☆ Drug Target Identification
• ☆ Hit-to-Lead & Lead Optimization
• ☆ High Content Screening/Imaging
• ☆ Medicinal Chemistry
• ☆ Drug Design
• ☆ Combinatorial Chemistry
• ☆ Structure-Activity Relationship (SAR) Studies
• ☆ Vaccine Development
• ☆ Pharmaceutical Management
• ☆ Pharmaceutical Technology

サービス

• Writing

Writing Clinical Trial Documentation, Medical Writing, Non-Medical Regulatory Writing, Technical Writing, Business & Legal Writing, Copywriting, Creative Writing, Newswriting, Audio Transcription, General Proofreading & Editing, Translation

職務経験

Post Doctoral Research Fellow

The University of Texas Health Science Center at Houston

8月 2024 - 現在

Assistant Professor / Associate Professor

Kailash Institute of Pharmacy and Management

9月 2021 - 9月 2023

学歴

Doctor of Philosophy

Central University of Rajasthan

7月 2015 - 7月 2023

認定資格

• Verified International Academic Qualifications

  World Education Services

  https://badges.wes.org/Evidence?i=1998c3ca-46b8-45e9-a070-8132f8f71700&type=us

  6月 2024 - 現在

出版物

JOURNAL ARTICLE

Shubham Srivastava, Omprakash Sharma, Manish Sharma, Ruchi Malik (2024). Discovery of Benzoxazepines as a New Class of PIM1 Kinase Inhibitors Through Structure Based Virtual Screening, Biochemical Evaluation and Cytotoxicity Studies . ChemistrySelect.

Shubham Srivastava, Amit Kumar Srivastava, Viney Kumar, Souvik Ghosh, Siddharth Yadav, Ruchi Malik, Partha Roy, Ramasare Prasad (2024). Identification and mechanistic exploration of structural and conformational dynamics of NF-kB inhibitors: rationale insights from in silico and in vitro studies . Journal of Biomolecular Structure and Dynamics.

Srivastava, A.K., Srivastava, S., Kumar, V., Ghosh, S., Yadav, S., Malik, R., Roy, P., Prasad, R.(2024). Identification and mechanistic exploration of structural and conformational dynamics of NF-kB inhibitors: rationale insights from in silico and in vitro studies . Journal of Biomolecular Structure and Dynamics. 42. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1485-1505.

Sharma, O., Srivastava, S., Sharma, M., Malik, R.(2024). 1,3,5-triazine derivatives as potential anticancer agents against lung and breast cancer cell lines: Synthesis, biological evaluation, and structure-based drug design studies . Journal of Molecular Structure. 1308.

Sharma, O., Srivastava, S., Sharma, M., Malik, R.(2024). Discovery of Benzoxazepines as a New Class of PIM1 Kinase Inhibitors Through Structure Based Virtual Screening, Biochemical Evaluation and Cytotoxicity Studies . ChemistrySelect. 9. (12).

Shubham Srivastava, Omprakash Sharma, Manish Sharma, Ruchi Malik (2023). Discovery of a New Dihydropyrimidinone Derivative as a Potential Haspin Kinase Inhibitor: Structure‐Guided Insights, In‐Vitro and Molecular Dynamics‐Based Validation . ChemistrySelect.

Verma, N., Srivastava, S., Malik, R., Goyal, P., Pandey, J.(2023). Inhibition and disintegration of Bacillus subtilis biofilm with small molecule inhibitors identified through virtual screening for targeting TasA_(28-261), the major protein component of ECM . Journal of Biomolecular Structure and Dynamics. 41. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2431-2447.

Sharma, O., Srivastava, S., Sharma, M., Malik, R.(2023). Discovery of a New Dihydropyrimidinone Derivative as a Potential Haspin Kinase Inhibitor: Structure-Guided Insights, In-Vitro and Molecular Dynamics-Based Validation . ChemistrySelect. 8. (35).

Qayum, A., Singh, J., Kumar, A., Shah, S.M., Srivastava, S., Kushwaha, M., Magotra, A., Nandi, U., Malik, R., Shah, B.A., et al.(2022). 2-Pyridin-4-yl-methylene-beta-boswellic Acid_A Potential Candidate for Targeting O⁶-Methylguanine-DNA Methyltransferase Epi-transcriptional Reprogramming in KRAS G13D_Microsatellite Stable, G12V_Microsatellite Instable Mutant Colon Cancer . ACS Pharmacology and Translational Science. 5. (5). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 306-320.

Kushwaha, M., Qayum, A., Jain, S.K., Singh, J., Srivastava, A.K., Srivastava, S., Sharma, N., Abrol, V., Malik, R., Singh, S.K., et al.(2021). Tandem MS-Based Metabolite Profiling of 19,20-Epoxycytochalasin C Reveals the Importance of a Hydroxy Group at the C7 Position for Biological Activity . ACS Omega. 6. (5). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3717-3726.

Shubham Srivastava, Lokesh Kaushik, Anshul Panjeta, Dasharath Chaudhari, Rohan Ghadi, Kaushik Kuche, Ruchi Malik, Simran Preet, Sanyog Jain, Kaisar Raza(2020). Exploration of docetaxel palmitate and its solid lipid nanoparticles as a novel option for alleviating the rising concern of multi-drug resistance . International Journal of Pharmaceutics. 578. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 119088. Elsevier {BV}

Kaushik, L., Srivastava, S., Panjeta, A., Chaudhari, D., Ghadi, R., Kuche, K., Malik, R., Preet, S., Jain, S., Raza, K.(2020). Exploration of docetaxel palmitate and its solid lipid nanoparticles as a novel option for alleviating the rising concern of multi-drug resistance . International Journal of Pharmaceutics. 578.

Verma, N., Srivastava, S., Malik, R., Yadav, J.K., Goyal, P., Pandey, J.(2020). Computational investigation for modeling the protein–protein interaction of TasA_(28–261)–TapA_(33–253): a decisive process in biofilm formation by Bacillus subtilis . Journal of Molecular Modeling. 26. (9).

Srivastava, S., Mehta, P., Sharma, O., Sharma, M., Malik, R.(2020). Computationally guided identification of Akt-3, a serine/threonine kinase inhibitors: Insights from homology modelling, structure-based screening, molecular dynamics and quantum mechanical calculations . Journal of Biomolecular Structure and Dynamics. 38. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4179-4188.

Shrivastava, A., Srivastava, S., Malik, R., Alam, M.M., Shaqiquzamman, M., Akhter, M.(2020). Identification of novel small molecule non-peptidomimetic inhibitor for prolyl oligopeptidase through in silico and in vitro approaches . Journal of Biomolecular Structure and Dynamics. 38. (5). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1292-1305.

Sharma, S., Srivastava, S., Shrivastava, A., Malik, R., Almalki, F., Saifullah, K., Alam, M.M., Shaqiquzzaman, M., Ali, S., Akhter, M.(2020). Mining of potential dipeptidyl peptidase-IV inhibitors as anti-diabetic agents using integrated in silico approaches . Journal of Biomolecular Structure and Dynamics. 38. (18). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 5349-5361.

Srivastava, S., Vengamthodi, A., Singh, I., Choudhary, B.S., Sharma, M., Malik, R.(2019). Determination of comprehensive in silico determinants as a strategy for identification of novel PI3Kα inhibitors . Structural Chemistry. 30. (5). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1761-1778.

Mehta, P., Srivastava, S., Sharma, M., Malik, R.(2019). Discovery of novel chemotypes for competitive AMPA receptor antagonists as potential antiepileptic agents through structure-based virtual screening of natural products library . Structural Chemistry. 30. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1159-1172.

Srivastava, S., Singh Choudhary, B., Mehta, P., Sukanya, Sharma, M., Malik, R.(2019). Molecular dynamics insights for PI3K-δ inhibition & structure guided identification of novel PI3K-δ inhibitors . Journal of Biomolecular Structure and Dynamics. 37. (9). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2404-2414.

Mehta, P., Srivastava, S., Sharma, M., Singh, I., Malik, R.(2018). Identification of chemically diverse GABA_A agonists as potential anti-epileptic agents using structure-guided virtual screening, ADMET, quantum mechanics and clinical validation through off-target analysis . International Journal of Biological Macromolecules. 119. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1113-1128.

Sharma, S., Sharma, V., Singh, G., Kaur, H., Srivastava, S., Ishar, M.P.S.(2017). 2-(chromon-3-yl)imidazole derivatives as potential antimicrobial agents: synthesis, biological evaluation and molecular docking studies . Journal of Chemical Biology. 10. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 35-44.

Pandey, R.K., Narula, A., Naskar, M., Srivastava, S., Verma, P., Malik, R., Shah, P., Prajapati, V.K.(2017). Exploring dual inhibitory role of febrifugine analogues against Plasmodium utilizing structure-based virtual screening and molecular dynamic simulation . Journal of Biomolecular Structure and Dynamics. 35. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 791-804.

Pandey, R.K., Kumbhar, B.V., Srivastava, S., Malik, R., Sundar, S., Kunwar, A., Prajapati, V.K.(2017). Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors: binding energy analysis assisted by molecular docking, ADMET and molecular dynamics simulation . Journal of Biomolecular Structure and Dynamics. 35. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 141-158.

Malik, R., Choudhary, B.S., Srivastava, S., Mehta, P., Sharma, M.(2017). Identification of novel acetylcholinesterase inhibitors through e-pharmacophore-based virtual screening and molecular dynamics simulations . Journal of Biomolecular Structure and Dynamics. 35. (15). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3268-3284.

Malik, R., Gupta, R., Srivastava, S., Choudhary, B.S., Sharma, M.(2017). Design, synthesis and biological evaluation of selected 3-[3-(amino) propoxy] benzenamines as acetylcholinesterase inhibitors . Journal of Biomolecular Structure and Dynamics. 35. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2382-2394.

Chaudhary, S., Gothwal, A., Khan, I., Srivastava, S., Malik, R., Gupta, U.(2017). Polypropyleneimine and polyamidoamine dendrimer mediated enhanced solubilization of bortezomib: Comparison and evaluation of mechanistic aspects by thermodynamics and molecular simulations . Materials Science and Engineering C. 72. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 611-619.

Mehta, P., Srivastava, S., Choudhary, B.S., Sharma, M., Malik, R.(2017). Probing voltage sensing domain of KCNQ2 channel as a potential target to combat epilepsy: a comparative study . Journal of Receptors and Signal Transduction. 37. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 578-589.

Malik, R., Mehta, P., Srivastava, S., Choudhary, B.S., Sharma, M.(2017). Pharmacophore modeling, 3D-QSAR, and in silico ADME prediction of N-pyridyl and pyrimidine benzamides as potent antiepileptic agents . Journal of Receptors and Signal Transduction. 37. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 259-266.

Malik, R., Mehta, P., Srivastava, S., Choudhary, B., Sharma, M.(2017). Structure-based screening, ADMET profiling, and molecular dynamic studies on mglu2 receptor for identification of newer antiepileptic agents . Journal of Biomolecular Structure and Dynamics. 35. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3433-3448.

Malik, R., Bunkar, D., Choudhary, B.S., Srivastava, S., Mehta, P., Sharma, M.(2016). High throughput virtual screening and in silico ADMET analysis for rapid and efficient identification of potential PAP_248-286 aggregation inhibitors as anti-HIV agents . Journal of Molecular Structure. 1122. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 239-246.

Srivastava, S., Choudhary, B.S., Sharma, M., Malik, R.(2016). Pharmacophore modeling and 3D-QSAR studies of galloyl benzamides as potent P-gp inhibitors . Medicinal Chemistry Research. 25. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1140-1147.

OTHER

Verma, N., Srivastava, S., Malik, R., Yadav, J.K., Goyal, P., Pandey, J.(2020). Computational investigation for modelling the protein- protein interaction of TasA_(28-261) – TapA_{(33- 253)}: A decisive process in biofilm formation by Bacillus subtilis . bioRxiv.