JUNIOR RESEARCH SCIENTIST
- Ph.D. in Pharmaceutical Sciences, Delhi University of Pharmaceutical Sciences and Research University (DPSRU), New Delhi, India
- M.Sc. in Bioinformatics, University of Allahabad, Prayagraj, India
- B.Sc. in Bioinformatics, Jaipur National University, Jaipur, India
Dr. Mitul Srivastava is a Junior Research Scientist working in the Translational Research Program at the Translational Health Science and Technology Institute (THSTI). With a strong background in Computer-aided Drug Design and Computational Biophysics, Dr. Mitul Srivastava plays a crucial role in advancing research and development in the field of drug discovery and translational medicine. During his doctoral studies, he focused on the application of computational methods to understand the structure and dynamics of biomolecules, with a specific emphasis on drug-target interactions. His research is broadly concerned with the application of state-of-the-art computational and theoretical techniques to understand and investigate the structure-function-dynamics aspects of complex biological systems which includes protein-ligand, protein-peptide/protein and protein-DNA interactions. To explore biological systems, his research integrates molecular modeling approaches such as: homology modeling, molecular docking, classical molecular dynamics simulation and advanced molecular dynamics, enhanced sampling methods, essential dynamics, thermodynamics studies and small-molecule dissociation studies. As a Junior Research Scientist, Dr. Srivastava brings a wealth of expertise to THSTI's Translational Research Program. He actively collaborates with interdisciplinary teams of scientists, including medicinal chemists, biologists, and clinicians, to accelerate the discovery and development of novel therapeutic agents.
Area of Expertise: Computational Biophysics, Computer-aided drug design, Structural Bioinformatics, Computational Chemistry
May 2023 – Current: Junior Research Scientist, Translational Health Science & Technology Institute, Faridabad, India
Working area:1) Elucidating therapeutic interventions of druggable targets involved in Autophagy 2) Building structural library of Ubiquitin specific proteases deubiquitinating enzymes (USPs-DUBs) to identify polymorphic inhibitors by screening ~100 million compounds using AI/ML based tools.
November 2022-April 2023: Project Associate, Translational Health Science & Technology Institute, Faridabad, India
Working area: Elucidating therapeutic interventions of druggable targets involved in Autophagy
September 2016-August 2018: Senior Research Fellow, Translational Health Science & Technology Institute, Faridabad, India
Working area: Worked on metabolic disorders and recognition of protein-protein interface using computational approach
December 2014- September 2016: Project Manager, International Center for Genetic Engineering and Biotechnology (ICGEB), New Delhi, India
Working area: Explored the role of DUBs (Deubiquitinating enzymes) as potential targets in cancers.
October 2013-March 2014:
Project Assistant, Center of Advanced Studies in Crystallography and Biophysics, University of Madras, Chennai, India
Working area: Investigating protein aggregation using structural analysis, prediction methods and molecular dynamics study with applications to eye diseases, corneal dystrophy.
1) Srivastava M.,Mittal L.,Sarmadhikari D., Kumar A., Asthana S.,“Dynamical characterization of template entrance channel of BVDV RdRp as possible inhibition and resistance site for quinoline tricyclic derivatives”, Pharmaceuticals, 2023, https://doi.org/10.3390/ph16030376
2) Srivastava M.,Mittal L., Kumari A,. Agrahari AK., Singh M., Mathur R., Asthana S., “Characterizing (un)binding mechanism of USP7 inhibitors to unravel the cause of enhanced binding potencies at allosteric checkpoint”, Protein Science, 2022, https://doi.org/10.1002/pro.4398
3) Khurana H., Srivastava M., Chaudhary D., Gosain TP., Kumari R., Bean AC., Chugh S., Maiti TK., Stephens CE., Asthana S., Singh R., “Identification of diphenyl furan derivatives via high throughput and computational studies as ArgA inhibitors of Mycobacterium tuberculosis”, International Journal of Biological Macromolecules, 2021,https://doi.org/10.1016/j.ijbiomac.2021.11.017(Shared first author)
4) Srivastava M.,Mittal L., Kumari A., Asthana S., “Molecular dynamics simulations reveal the interaction fingerprint of remdesivir triphosphate pivotal in allosteric regulation of SARS-CoV-2 RdRp”, Frontiers in Molecular Biosciences, 2021, 10.3389/fmolb.2021.639614
5) Kumari A., Mittal L., Srivastava M., Asthana S., “Binding mode characterization of 13b in the monomeric and dimeric states of SARS-CoV-2 main protease using molecular dynamics simulations”, Journal of Biomolecular Structure and Dynamics, 2021, https://doi.org/10.1080/07391102.2021.1927844(Shared first author)
6) Mittal L., Kumari A., Srivastava M., Singh M., Asthana S., “Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach”, Journal of Biomolecular Structure and Dynamics, 2020, https://doi.org/10.1080/07391102.2020.1768151 (Shared first author)
7) Srivastava M., Suri C.,Asthana S., “What Modulates the Usp7 Function... A Dynamic Pocket or Inter-Regulatory Domains?”, Biophysical Journal, 2019, https://doi.org/10.1016/j.bpj.2018.11.1856
8) Mittal L.,Srivastava M., Asthana S. “Conformational characterization of Linker revealed the mechanism of cavity formation by 227G in BVDV RdRp”, ACS-The Journal of Physical Chemistry B, 2019, https://doi.org/10.1021/acs.jpcb.9b01859(Shared first author)
9) Srivastava M., Suri C., Singh M., Mathur R., Asthana S., “Molecular Dynamics Simulations reveals the possible druggable hotspots of Ubiquitin Specific Proteases 7”. Oncotarget, 2018,10.18632/oncotarget.26136
10) Kumari A., Mittal L., Srivastava M., Pathak DP., Asthana S., “Deciphering the structural determinants critical in attaining the FXR partial agonism”, ACS-The Journal of Physical Chemistry B, 2022, 10.1021/acs.jpcb.2c06325
11) Agrahari AK., Srivastava M., Singh M., Asthana S.,“SARS-CoV-2 envelope protein attain Kac mediated dynamical interaction network to adopt "histone mimic”, Journal of Biomolecular Structure and Dynamics, 2022
12) Sharma S., Tyagi R., Srivastava M., Rani K., Kumar D., Asthana S., Raj VS., “Identification and validation of potent inhibitor of Escherichia coli DHFR from MMV pathogen box”, Journal of Biomolecular Structure and Dynamics, 2022, https://doi.org/10.1080/07391102.2022.2080113
13) Mittal L., Srivastava M.,Kumari A., Tonk R., Awasthi A., Asthana S., “Interplay among structural stability, plasticity, and energetics determined by conformational attuning of flexible loops in PD-1”, ACS, Journal of Chemical Information and Modeling, 2021, https://doi.org/10.1021/acs.jcim.0c01080
14) Singh M.,Srivastava M.,Wakode SR., Asthana S.,“Elucidation of Structural Determinants Delineates the Residues Playing Key Roles in Differential Dynamics and Selective Inhibition of Sirt1–3”, ACS, Journal of Chemical Information and Modeling, 2021, https://doi.org/10.1021/acs.jcim.0c01193
15) Sharma PP., Kumar S., Srivastava S., Srivastava M., Jee B., Gorobets NY., Kumar D., Kumar M., Asthana S., Zhang P., Poonam, Zoltner M., Rathi B., “Computational study of novel inhibitory molecule, 1-(4-((2 S, 3 S)-3-amino-2-hydroxy-4-phenylbutyl) piperazin-1-yl)-3-phenylurea, with high potential to competitively block ATP binding to the RNA dependent RNA polymerase of SARS-CoV-2 virus”, Journal of Biomolecular Structure and Dynamics, 2021, https://doi.org/10.1080/07391102.2021.1940281
16) Kumari A., Mittal L., Srivastava M., Pathak DP., Asthana S.,“Conformational Characterization of the Co-Activator Binding Site Revealed the Mechanism to Achieve the Bioactive State of FXR”, Frontiers in Molecular Biosciences, 2021,10.3389/fmolb.2021.658312
17) Tyagi R., Srivastava M., Singh B., Sharma S., Pandey RP., Asthana S., Kumar D., Asthana S., Raj VS., "Identification and validation of potent inhibitor of Escherichia coli DHFR from MMV pathogen box”, Journal of Biomolecular Structure and Dynamics, 2021, https://doi.org/10.1080/07391102.2022.2080113
18) Borkar R., Shankar G., Mohammed S. A.,Srivastava M., Reddy V., Ahmed K., Asthana S., Banerjee S.K., Ragampeta S., “Identification and Characterization of in vitro and in vivo fidarestat metabolites: Toxicity and efficacy evaluation of metabolites”, Journal of Mass Spectrometery, 2020, https://doi.org/10.1002/jms.4694
19) Singh M.,Srivastava M.,Purushotham N., Paramesha B., Wakode S. R.,Poojary B., Banerjee S.K., Asthana S., “Molecular dynamics simulation reveals new pocket for the design of novel amino acid coupled Sirt1 selective inhibitor”, Biophysical Journal, 2020, https://doi.org/10.1016/j.bpj.2019.11.1239
20) Tyagi R., Srivastava M., Jain P., Pandey RP., Asthana S., Kumar D., Asthana S., Raj VS., “Development of potential proteasome inhibitors against Mycobacterium tuberculosis”, Journal of Biomolecular Structure and Dynamics, 2020, https://doi.org/10.1080/07391102.2020.1835722
21) Chandel V., Srivastava M.,Srivastava A.,Asthana S., Kumar D., “In-silico interactions of active phytochemicals with c-Myc EGFR and ERBB2 oncoproteins”, Chemical Biology Letters, 2020
22) Thakur S.K., Srivastava M.,Kumar A., Goel R., Asthana S., Eswaran S. V., “A multidimensional approach to explore the use of a small heterobifunctional crosslinker based on metabolite of the kynurenine pathway”, Journal of Proteomics and Bioinformatics, 2019,10.4172/0974-276X.1000491
1. Shailendra Asthana, Boja Poojary, Sanjay K Banerjee, Nikil Purushotham, Mrityunjay Singh, Bugga Paramesha, Srivastava Mitul.
Title: 1,2-Disubstituted benzimidazolyl amino acids as selective sirtuin-1 lysine deacetylase inhibitors
India patent application number: 202011005513
2. Shailendra Asthana, Boja Poojary, Sanjay K Banerjee, Nikil Purushotham, Mrityunjay Singh, Bugga Paramesha, Srivastava Mitul.
Title: Amino acid derived 5-pyrazolyl methylidene rhodanine carboxylic acids as selective sirtuin-1 lysine deacetylase inhibitors
India provisional patent application number: 202011005512
1) DPSRU Research Promotion Award for Ph.D. research paper.
2) 2019 DST-AWSAR award for Best PhD story writing. Title “Do You Really Know Proteins?”
3) 2019 CSIR-Travel Grant to attend Biophysical Meeting-2019, Baltimore, USA.
4) 2018 ICMR-SRF National fellowship
5) 2017 Best poster award in the foundation day of Translational Health Science and Technology Institute, Faridabad, India
6) 2017 Best poster award in International Conference on Drug Design, organized by SchrÖdinger held at Jawaharlal Nehru University, New Delhi, India (April 7-9, 2017)
7) 2016 IMB-Travel Grant for presenting poster and a flash presentation in 1st RSG-Germany Student Symposium on Computational Genomics, organized by Institute of Molecular Biology, Mainz, Germany
8) 2015 Best poster award in National Conference on Recent Developments in Medical Biotechnology and Structure Based Drug Designing, organized by Department of Biosciences and Bioengineering, IIT Guwahati, India
Review Editor in the Editorial Board of Frontiers in Molecular Biosciences, Frontiers in Drug Discovery, and Frontiers in Bioinformatics
Reviewer of Journal of Biomolecular and Structure Dynamics
Google Scholar: https://scholar.google.com/citations?user=T2jWFZIAAAAJ&hl=en&authuser=1