Professional

Jitesh Doshi

Computer Aided / AI Based Drug Discovery Scientist

jiteshvdoshi@gmail.com · +91 98903 36470 · linkedin.com/in/jiteshvdoshi · github.com/jiteshdoshi · Bengaluru, India
Experience
Senior Research Scientist
Peptris Technologies Current
Apr 2024 – Present · Bengaluru
  • Leading AI-driven drug discovery initiatives using generative models, structure-based design, and ML-guided hit identification.
  • Architecting end-to-end computational pipelines integrating molecular docking, ADMET prediction, and generative molecular design.
  • Driving cross-functional research strategy at the intersection of cheminformatics, deep learning, and translational biology.
Research Scientist
Peptris Technologies
Feb 2022 – Mar 2024 · Bengaluru
  • Developed ML models for molecular property prediction, virtual screening, and target identification.
  • Built and maintained computational drug discovery workflows using Python, RDKit, and deep learning frameworks.
  • Collaborated with wet-lab teams to prioritise computational hits for experimental validation.
Founder & Director
BioInsight Solutions (OPC) Private Limited
Sep 2020 – Jan 2022 · Kharghar, Navi Mumbai
  • Founded and ran a bioinformatics training, research support, and consultancy venture, incorporated September 2020.
  • Provided structural bioinformatics services to academic and industry clients, including molecular docking, dynamics, and sequence analysis.
  • Wound down operations in January 2022 to join Peptris Technologies full-time.
Workshop Mentor — Bioinformatics, Cheminformatics & CADD
MakeIntern
Aug 2017 – Apr 2022 · Mumbai / Pan-India
  • Delivered skill-based training to students across disciplines in cheminformatics, bioinformatics, and computer-aided drug design through workshops organised in association with IITs at colleges across India.
Bioinformatics Consultant
Freelance
Jan 2019 – Jan 2020 · Navi Mumbai
  • Independent consultant for academic and research institutes: sequence/structure analysis workflows, CADD, molecular docking & dynamics simulations, and computational platform training.
Bioinformatics Research Fellow
Tata Memorial Centre – ACTREC
Jul 2016 – Apr 2018 · Navi Mumbai
  • Molecular modelling, docking, and MD simulations of oncology-relevant proteins.
  • HPC cluster simulations using GROMACS at C-DAC Pune; inhibitor molecule design using CADD tools.
  • Developed and maintained databases and web applications (Java, JSP, MySQL) for research data management.
Graduate Student & Teaching Assistant
University of Illinois at Chicago
Jan 2014 – Aug 2014 · Chicago, IL
  • Teaching Assistant for biochemistry; led discussion sessions and assisted in exam design and grading.
  • IT infrastructure, database/web support, and web application development (Perl, ASP).
Research Associate
Bioinformatics Center, University of Pune
Jan 2012 – Nov 2013
  • DBT Centre of Excellence project: molecular docking and dynamics simulations of p38 MAP kinase activation mechanism.
  • Statistical analysis of epitope stabilities for vaccine target design; mentoring MSc Bioinformatics students.
Publications
Lead authorship
PDZscape: a comprehensive PDZ-protein database
Doshi J, Kuppili RR, Gurdasani S, Venkatakrishnan N, Saxena A, Bose K · BMC Bioinformatics 19(1):160, 2018
Analysing Cancer Signalling Pathways: A Structural Bioinformatics Approach
Doshi J, Dutta S, Bose K · Book chapter in Unravelling Cancer Signaling Pathways: A Multidisciplinary Approach, pp. 271–293, Springer Singapore, 2019
Simultaneous gene selection and cancer classification using chemical reaction optimization
Doshi J, Chindhe M, Kharche Y, Ghosh S, Valadi J · Proceedings of the World Congress on Engineering 1, 2014
Collaborative & mentored research
Synthesis and evaluation of ivacaftor derivatives with reduced lipophilicity
Iazzi M, Junor P, Doshi J, Acharya S, Suhring R, Viirre RD, Gupta GD · ACS Omega 8(48):45606–45615, 2023
Energy decomposition and water-swapping analysis to investigate the SNP-associated DPD-mediated 5-FU resistance
Verma H, Doshi J, Narendra G, Raju B, Singh PK, Silakari O · SAR and QSAR in Environmental Research 34(1):39–64, 2023
Computational studies and scaffold search for APOE4 as coronary artery disease target by virtual screening
Hazarika L, Sen S, Doshi J · Computational Biology and Bioinformatics 10(2):49, 2022
Elevated fibrinogen level reduces therapeutic efficiency of AD drugs: biophysical insights into the interaction of FDA-approved cholinesterase inhibitors with human fibrinogen
Baruah P, Paul D, Doshi J, Mitra S · The Journal of Physical Chemistry B 126(1):30–43, 2021
Identification of APOE4 modulators, targeted therapeutic candidates in Coronary Artery Disease, using molecular docking studies
Hazarika L, Sen S, Zawar A, Doshi J · bioRxiv 2021.02.02.429307, 2021
Molecular docking analysis of arjunolic acid from Terminalia arjuna with a coronary artery disease target APOE4
Hazarika L, Sen S, Doshi J · Bioinformation 17(11):949, 2021

Open to: Consulting, scientific advisory roles, speaking at conferences, and research collaborations in computational drug discovery, cheminformatics, and AI for biology. Get in touch →