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RSC Advances|May 6, 2022
Novel huperzine A based NMDA antagonists: insights from molecular docking, ADME/T and molecular dynamics simulation studiesDilep Kumar Sigalapalli, Raghu Rangaswamy, Neelima D Tangellamudi
Cell Death & Disease|January 12, 2020
Piperlongumine regulates epigenetic modulation and alleviates psoriasis-like skin inflammation via inhibition of hyperproliferation and inflammationSowjanya Thatikonda, Venkatesh Pooladanda, Dilep Kumar Sigalapalli, et al.
Journal of Molecular Modeling|November 24, 2021
DFT calculation, molecular docking, and molecular dynamics simulation study on substituted phenylacetamide and benzohydrazide derivativesVidyasrilekha Yele, Dilep Kumar Sigalapalli, Srikanth Jupudi, et al.
Diseases (Basel, Switzerland)|August 28, 2024
Unveiling the Unexplored Multifactorial Potential of 5-Aminosalicylic Acid in Diabetic Wound TherapyBharat Kumar Reddy Sanapalli, Ashwini Deshpande, Vidyasrilekha Sanapalli, et al.
Organic & Biomolecular Chemistry|January 18, 2021
Syntheses and medicinal chemistry of azepinoindolones: a look back to leap forwardManasa Kadagathur, Sandip Patra, Dilep Kumar Sigalapalli, et al.
Current Issues in Molecular Biology|January 30, 2026
Advancing Drug Repurposing for Rheumatoid Arthritis: Integrating Protein-Protein Interaction, Molecular Docking, and Dynamics Simulations for Targeted Therapeutic ApproachesKrishna Swaroop Akey, Bharat Kumar Reddy Sanapalli, Dilep Kumar Sigalapalli, et al.
ACS Omega|February 10, 2025
Computational Elucidation of Human β-Defensin-2 as a Dual Inhibitor of MMP-9 and PKC-βII for Diabetic Wound ManagementVidyasrilekha Sanapalli, Dilep Kumar Sigalapalli, Afzal B Shaik, et al.
International Journal of Molecular Sciences|July 28, 2026
Integrated Network Pharmacology and Molecular Dynamics Reveal Luteolin from Persea americana as a Multi-Cancer SRC/GSK3β InhibitorAkey Krishna Swaroop, Bharat Kumar Reddy Sanapalli, Jubie Selvaraj, et al.
RSC Advances|August 3, 2022
Selectivity profile comparison for certain γ-butyrolactone and oxazolidinone-based ligands on a sigma 2 receptor over sigma 1: a molecular docking approachRichie R Bhandare, Dilep Kumar Sigalapalli, Afzal B Shaik, et al.
Antibiotics (Basel, Switzerland)|February 27, 2026
Artificial Intelligence and the Discovery of Antibiotics: Reinventing with Opportunities, Challenges, and Clinical TranslationBharat Kumar Reddy Sanapalli, Shrestha Palit, Ashwini Deshpande, et al.
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