Molecular modeling in cardiovascular pharmacology: Current state of the art and perspectives - Archive ouverte HAL
Article Dans Une Revue Drug Discovery Today Année : 2022

Molecular modeling in cardiovascular pharmacology: Current state of the art and perspectives

Résumé

Molecular modeling in pharmacology is a promising emerging tool for exploring drug interactions with cellular components. Recent advances in molecular simulations, big data analysis, and artificial intelligence (AI) have opened new opportunities for rationalizing drug interactions with their pharmacological targets. Despite the obvious utility and increasing impact of computational approaches, their development is not progressing at the same speed in different fields of pharmacology. Here, we review current in silico techniques used in cardiovascular diseases (CVDs), cardiological drug discovery, and assessment of cardiotoxicity. In silico techniques are paving the way to a new era in cardiovascular medicine, but their use somewhat lags behind that in other fields.
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hal-04226796 , version 1 (22-07-2024)

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Jennifer Lagoutte-Renosi, Florentin Allemand, Christophe Ramseyer, Semen Yesylevskyy, Siamak Davani. Molecular modeling in cardiovascular pharmacology: Current state of the art and perspectives. Drug Discovery Today, 2022, 27 (4), pp.985-1007. ⟨10.1016/j.drudis.2021.11.026⟩. ⟨hal-04226796⟩
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