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	Provedor de dados Nature Precedings (1) Autor Amineni Umamaheswari (1) C Ramana (1) Manne Munikumar (1) Palavra-chave Bioinformatics (1) Tipo do documento Poster (1) Ano 2011 (1) País United Kingdom (1)		Ordenar por:  Relevância Autor Título Ano Registros recuperados: 1 Primeira ... 1 ... Última Ligand based virtual screening studies to design drug molecules for human PIN1 causing cardiovascular disease Nature Precedings C Ramana; Manne Munikumar; Amineni Umamaheswari. PIN1 is a member of the cis/trans peptidyl-prolyl isomerase family which plays critical roles in cell-cycle regulation. Over expression of PIN1 in endothelial cells causes cardiovascular disease. The present study has focused on computational analysis to identify the potential inhibitors for PIN1. The human PIN1 crystal structure was retrieved from the protein data bank and prepared using protein preparation wizard of Maestro v9.2. Fourteen PIN1 inhibitors reported in recent literature were acquired and searched for structural analogs using Ligand.Info tool. 5675 PIN1 inhibitor analogs yielded were converted to 3D structures using LigPrep with constraints of ADME evaluation and toxicity assessments. The 3D ligand dataset was docked to PIN1 through... Tipo: Poster Palavras-chave: Bioinformatics. Ano: 2011 URL: http://precedings.nature.com/documents/6604/version/1 Registros recuperados: 1 Primeira ... 1 ... Última

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