Esther Rubavathy SM - Search Results

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Computational insights in repurposing a cardiovascular drug for Alzheimer's disease: the role of aromatic amino acids in stabilizing the drug through π-π stacking interaction.

Esther Rubavathy SM, Prakash M. Esther Rubavathy SM, et al. Phys Chem Chem Phys. 2025 Jan 2;27(2):1071-1082. doi: 10.1039/d4cp03291h. Phys Chem Chem Phys. 2025. PMID: 39679694

Exploration of novel hydroxamate zinc binding group inhibitors against HDAC-1-3 enzymes by AI-based virtual screening: atomistic insights from steered molecular dynamics.

Esther Rubavathy SM, Rajapandian V, Prakash M. Esther Rubavathy SM, et al. J Biomol Struct Dyn. 2024 Mar 8:1-12. doi: 10.1080/07391102.2024.2325104. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38456827

Identification of indole-based natural compounds as inhibitors of PARP-1 against triple-negative breast cancer: a computational study.

Priyankha S, Rajapandian V, Palanisamy K, Esther Rubavathy SM, Thilagavathi R, Selvam C, Prakash M. Priyankha S, et al. Among authors: esther rubavathy sm. J Biomol Struct Dyn. 2024 Mar;42(5):2667-2680. doi: 10.1080/07391102.2023.2208215. Epub 2023 May 8. J Biomol Struct Dyn. 2024. PMID: 37154583

Discovery of novel HDAC8 inhibitors from natural compounds by in silico high throughput screening.

Esther Rubavathy SM, Palanisamy K, Priyankha S, Thilagavathi R, Prakash M, Selvam C. Esther Rubavathy SM, et al. J Biomol Struct Dyn. 2023 Nov;41(19):9492-9502. doi: 10.1080/07391102.2022.2142668. Epub 2022 Nov 12. J Biomol Struct Dyn. 2023. PMID: 36369945

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