3-D-QSAR/CoMFA and recognition models of benzimidazole derivatives at the 5-HT(4) receptor

Maria L. López-Rodríguez, Marta Murcia, Bellinda Benhamú, Alma Viso, Mercedes Campillo, Leonardo Pardo

Research output: Contribution to journalArticleResearchpeer-review

20 Citations (Scopus)

Abstract

3-D-QSAR/CoMFA methodology and computational simulation of ligand recognition have been successfully applied to explain the binding affinities of a series of benzimidazole derivatives 1-24 acting at serotonin 5-HT(4)Rs. Both derived computational models have facilitated the identification of the structural elements of the ligands that are key to high 5-HT(4)R affinity. The results provide the tools for predicting the affinity of related compounds, and for guiding the design and synthesis of new ligands with predetermined affinities and selectivity. © 2001 Elsevier Science Ltd. All rights reserved.
Original languageEnglish
Pages (from-to)2807-2811
JournalBioorganic and Medicinal Chemistry Letters
Volume11
Issue number21
DOIs
Publication statusPublished - 5 Nov 2001

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