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Mukesh Patel School of Technology Management and Engineering
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Assistant Professor

Areas of specialization: CADD, Drug discovery and development for antidiabetic and anticancer

Experience: 4 years

Interest areas: In silico drug discovery, molecular modelling, and medicinal chemistry-driven synthesis of novel therapeutics for diabetes and cancer

Awards:

  • Gold Badge (Top 5%) in the 12-week NPTEL FDP “Artificial Intelligence in Drug Discovery and Development” (IIT-BHU, July–October 2025), scoring 94%.
  • Third prize in Oral presentation at International Conference on Synthetic & Pharmaceutical Chemistry (ICSPC 2023) at Lovely Professional University, Phagwara, Punjab, India

Patents: 02 (Published)

  • Thareja S, Kumar S, Kulkarni S, Singh Y, Bhandary D, Prajapati SK. “Novel Polyphenolic Boron Adducts, their Synthesis and Uses thereof” (Indian Patent Application No. 202311006635)
  • Thareja S, Jain AK, Banjare L, Verma SK, Rai S, Vishvakarma NK, Kumar S, Kulkarni S, Singh Y. “Novel (1E,6E)-1-(4-(2-([1,1′-biphenyl]-4-yl)-2-oxoethoxy)-3-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione, its synthesis and uses thereof” (Indian Patent Application No. 202311001450)

Books/Book chapters published:

  • Singh, Y., Kulkarni, S., & Thareja, S. (2023). Thioether linkage chemistry: perspectives and prospects in therapeutic designing. Polymer-Drug Conjugates, 193-206.

Number of Publications: 21

Recent Publications: (Last three years)

  • Famta, P., Shah, S., Sharma, A., Vambhurkar, G., Singh, Y., Mourya, A., & Srivastava, S. (2025). Hydroxy propyl β-cyclodextrin complexes of olaparib: Amalgamation of in silico, in vitro and in vivo approaches for bioavailability enhancement. Journal of Molecular Structure, 1336, 142077.
  • Kohal, R., Kumari, P., Bisht, P., Singh, Y., Thareja, S., & Verma, S. K. (2025). Pyrimidine‐2, 4‐dione‐Based DPP‐4 Inhibitors: A Structure‐Guided Multifaced 3D‐QSAR and Molecular Dynamics Studies. ChemistrySelect, 10(22), e00268
  • Singh, Y., Kumar, N., Kulkarni, S., Singh, S., & Thareja, S. (2024). Pharmacophore derived 3D-QSAR, molecular docking, and simulation studies of quinoxaline derivatives as ALR2 inhibitors. Journal of Biomolecular Structure and Dynamics, 42(19), 10452-10488.
  • Singh, Y., & Thareja, S. (2024). In Silico Molecular Dynamics and 3D‐QSAR Study on Thiazolidinedione Derivatives as Dual Inhibitors of DPP IV and PTP1B (DDPI’s) for the Management of T2DM. ChemistrySelect, 9(45), e202400191.
  • Khator, R., Biharee, A., Bhatia, N., Kulkarni, S., Singh, Y., Karthikeyan, C., Jain, A. K., & Thareja, S. (2024). Medicinal Aspects of PTP1B Inhibitors as Anti-Breast Cancer Agents: An Overview. Current Medicinal Chemistry, 31(34), 5535-5549.
  • Khator, R., Singh, Y., Asati, V., & Monga, V. (2024). Identification of Novel Thiazolidinedione Based Pancreatic Lipase Inhibitors for the Management of Obesity Using In Silico ChemistrySelect, 9(25), e202400322.
  • Biharee, A., Singh, Y., Kulkarni, S., Jangid, K., Kumar, V., Jain, A. K., & Thareja, S. (2024). An amalgamated molecular dynamic and Gaussian based 3D-QSAR study for the design of 2, 4-thiazolidinediones as potential PTP1B inhibitors. Journal of Molecular Graphics and Modelling, 127, 108695
  • Gupta, K., Gautre, P., Biharee, A., Singh, Y., Patil, U. K., Kumar, S., & Thareja, S. (2024). Exploring the Potential of Essential Oil from Plectranthus amboinicus Leaves against Breast Cancer: In vitro and In silico Medical Oncology, 41(4), 81.
  • Tantra, T., Singh, Y., Patekar, R., Kulkarni, S., Kumar, P., & Thareja, S. (2024). Phosphate prodrugs: an approach to improve the bioavailability of clinically approved drugs. Current Medicinal Chemistry, 31(3), 336-357
  • Kulkarni, S., Singh, Y., Biharee, A., Bhatia, N., Monga, V., & Thareja, S. (2023). Molecular docking, 3D-QSAR and simulation studies for identifying pharmacophoric features of indole derivatives as 17β-hydroxysteroid dehydrogenase type 5 (17β-HSD5) inhibitors. Journal of Biomolecular Structure and Dynamics, 41(22), 12668-12685.
  • Singh, Y., Jaswal, S., Singh, S., Verma, S. K., & Thareja, S. (2023). Dual aromatase-steroid sulfatase inhibitors (DASI’s) for the treatment of breast cancer: a structure guided ligand based designing approach. Journal of Biomolecular Structure and Dynamics, 41(20), 10604-10626
  • Singh, Y., Bhatia, N., Biharee, A., Kulkarni, S., Thareja, S., & Monga, V. (2023). Developing our knowledge of the quinolone scaffold and its value to anticancer drug design. Expert Opinion on Drug Discovery, 18(10), 1151-1167.

Professional memberships:

  • Student member – Royal Society of Chemistry (Membership ID: 746444)

Other achievements/ Trainings:

  • Completed a 12-week MOOC Course and Faculty Development Programme titled “Artificial Intelligence in Drug Discovery and Development” from NPTEL, hosted by IIT-BHU and secured a Gold Badge during July 2025 to October 2025 by scoring 94% marks, ranking among the Top 5% of participants.
  • Participated in Two Day Hands-On Training Workshop on “Animal Handling, Routes of Drug Administration and Blood Withdrawal Techniques” organised by the Department of Pharmacology, School of Pharmacy & Technology Management, Shirpur held on 6th & 7th October, 2025.
  • Attended five days online Faculty Development Program (FDP) organized by Faculty of Pharmaceutical Sciences, The ICFAI University, Himachal Pradesh from 21st – 25th July, 2025.
  • Participated in one-day FDP “Statistical Techniques Using SPSS” organized by the School of Management Studies, Baddi University of Emerging Sciences and technology on 24th July 2025.
  • Attended Five-Day online Faculty Development Program on “Research from The Roots: Excellence Through Primary Exploration” from 7th July 2025 to 11th July 2025.
  • Attended one-week online Faculty Development Program on “Innovation in Pharmacy Education and Application of AI: Enhancing Teaching-Learning Practices” organized by ISF College of Pharmacy, Moga, held on 23rd June to 28th June 2025
  • Participated in Three days Hands-on-Training Workshop on “Molecular Modelling Techniques” organized by Department of Pharmaceutical Sciences & Natural Products and Department of Pharmacology, held on 03rd – 05th May, 2023
  • Participated in National Workshop on “IP: Accelerating Innovation and Creativity” organized by ISF College of Pharmacy, Moga, held on 26th April, 2023
  • Participated in “Hands on Workshop on SciFinder” organized by the Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab Bathinda, held on 12th April, 2023.
  • Participated in a CME on “Scientific Publication” organized by the Department of Pharmacology and Department of Pharmaceutical Sciences and Natural Products Central University of Punjab, Bathinda, under the aegis of Indian Pharmacological Society (IPS), held on 13th March, 2023

Official email ID: yogesh.rawat@nmims.edu

Official Phone No.: 02563- 295545