Faculty

1. Selected Publications

• Prashant Singh, Rupa Raj, Jayati Dwivedi, Aditya K. Yadav, Vishal K. Singh and Ramendra K. Singh (2025). "Microwave-assisted synthesis of Schiff base metal complexes and their anticancer activity: An in Silico and in vitro study." Journal of Molecular Structure, 144482. View Publication
• Ashvani Yadav, Vishal Kumar Singh, Rohit Kumar, Vikas Yadav, Ashish Kumar Kushwaha, Vikas Kumar Rana, Ajay Kumar and Virendra Prasad (2025). "Regioselective sulfenylation of indoles using sulfonyl hydrazides: In silico design, DFT calculation, hirshfeld surface analysis, ADMET study, molecular docking and anticancer activity." Journal of Molecular Structure, 1329, 141346. View Publication
• Shivangi Rai, Vishal K Singh, Iqrar Ahmad, Mohit Agrawal and Ramendra K. Singh (2025). "Design, synthesis, molecular docking, DFT analysis, dynamics simulation and cytotoxicity evaluation of coumarin derivatives as acetylcholinesterase (AChE) inhibitors against Alzheimer’s disease." Journal of Molecular Structure. View Publication
• Vishal K. Singh, Shivangi Rai, Apoorva Singh Parihar, Iqrar Ahmad, Harun Patel, Dominique Schols and Ramendra K. Singh (2024). "Design, synthesis, molecular docking, dynamics simulations and antiviral activities of quinoline derivatives." Journal of Molecular Structure, 1319, 139531. View Publication
• Sana Begum, Vishal K. Singh, Priyanka Kumari and Anup Som (2024). "Identification of the most potent bioactive natural compound as main protease inhibitor of SARS-CoV-2: Molecular docking, molecular dynamics simulations and MM-PBSA studies." Network Biology, 14(4), 266-292.
• Komal G Sangu, Vijayan N Azger Dusthackeer, Vishal K Singh, Shivani Maykalwar, Eruva Vamshi Krishna, Balasubramanian Angayarkanni, Rahul Maitra, Sidharth Chopra, Sunil Misra and Haridas B Rode (2024). "3,5-disubstituted pyridines with potent activity against drug-resistant Mycobacterium tuberculosis clinical isolates." Future Medicinal Chemistry, 16(22), 2351-2369. View Publication
• Dattatraya Babar, Gopinath Khansole, Vishal K. Singh, Akash Shinde, Vaishnavi Kambhampati, Sai Balaji Andugulapati, Haridas B. Rode (2024). "N,N-Diarylsulfonamide reduces proinflammatory cytokine interleukin-6 levels in cells through nuclear factor-κB regulation." ChemMedChem, 19(13), e202300598. View Publication
• Kajal Singh, Vishal K. Singh, Richa Mishra, Ashwani Sharma, Archana Pandey, Santosh K. Srivastava, Himani Chaurasia (2024). "Design, synthesis, DFT, docking studies and antimicrobial evaluation of novel benzimidazole containing sulphonamide derivatives." Bioorganic Chemistry. View Publication
• Vishal K. Singh, Priyanka Kumari, Anup Som, Shivangi Rai, Richa Mishra and Ramendra K. Singh (2023). "Design, synthesis and antimicrobial activity of novel quinoline derivatives: An in silico and in vitro study." Journal of Biomolecular Structure and Dynamics. View Publication
• Vishal K. Singh, Iqrar Ahmad, Harun Patel, Jayati Dwivedi, Prashant Singh, Shivangi Rai and Ramendra K. Singh (2023). "Design, Docking, Molecular Dynamics, Synthesis and Antimicrobial Studies on Quinoline Derivatives and some Isosteres." Journal of Molecular Structure. View Publication