Sagar Singh Shyamal

About

Highly motivated pharmacy student in pharmaceutical sciences, specializing in medicinal chemistry and cheminformatics. Experienced in machine learning-driven drug discovery, virtual screening, molecular dynamics, and synthetic chemistry. Seeking opportunities to apply my skills in cutting-edge drug design projects.

Employment

• Translational Health Science and Technology Institute Project research scientist - I
  2025 - Present

Education

• Indian Institute of Technology BHU Varanasi Design and Innovation Centre Master's in Pharmaceutical sciences
  2022 - 2024
• Birla Institute of Technology, Mesra Bachelor's in Pharmaceutical sciences
  2018 - 2022

Projects & Funding

Projects & funding information is unavailable.

Publications (6)

• Computational exploration in search for novel natural product-derived EZH2 inhibitors for advancing anti-cancer therapy
  Molecular Diversity 2025 DOI: 10.1007/s11030-025-11128-3
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• Cannabis sativa Phytochemicals as Potent Regulators of Aquaporin-4 in Alzheimer’s Disease: A Cheminformatics and Machine Learning Approach
  Chemistry Africa 2025 DOI: 10.1007/s42250-025-01404-y
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• Gut microbiota and tuberculosis
  iMeta 2025 DOI: 10.1002/imt2.70054
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• Physiological modeling of the metaverse of the Mycobacterium tuberculosis β-CA inhibition mechanism
  Computers in Biology and Medicine 2024 DOI: 10.1016/j.compbiomed.2024.109029
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• A cheminformatics and network pharmacology approach to elucidate the mechanism of action of Mycobacterium tuberculosis γ-carbonic anhydrase inhibitors
  Frontiers in Pharmacology 2024 DOI: 10.3389/fphar.2024.1457012
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• Inhibition of Plasmodium falciparum Fatty Acid Biosynthesis (FAS-II Pathway) by Natural Flavonoids: A Computer-Aided Drug Designing Approach
  Chemistry Africa 2022 DOI: 10.1007/s42250-022-00449-7
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