G protein-coupled estrogen receptor-1: homology modeling approaches and application in screening new GPER-1 modulators. Issue 7 (3rd May 2022)

• Record Type: Journal Article
• Authors: Khan, Shafi Ullah; Ahemad, Nafees; Chuah, Lay-Hong; Naidu, Rakesh; Htar, Thet Thet
• Is Part Of: Journal of biomolecular structure & dynamics. Volume 40:Issue 7(2022)
• Page Start: 3325
• Page End: 3335
• Publication Date: 2022-05-03
• Subjects: GPER-1 -- estrogen -- homology modeling -- molecular docking -- modulators; Biomolecules -- Periodicals; Molecular structure -- Periodicals; Molecular Biology -- Periodicals; Biomechanics -- Periodicals; 572
• DOI: 10.1080/07391102.2020.1844059
• Languages: English
• ISSNs: 0739-1102

Abstract

Abstract: G protein-coupled receptors (GPCRs) belong to the largest family of protein targets comprising over 800 members in which at least 500 members are the therapeutic targets. Among the GPCRs, G protein-coupled estrogen receptor-1 (GPER-1) has shown to have the ability in estrogen signaling. As GPER-1 plays a critical role in several physiological responses, GPER-1 has been considered as a potential therapeutic target to treat estrogen-based cancers and other non-communicable diseases. However, the progress in the understanding of GPER-1 structure and function is relatively slow due to the availability of a only a few selective GPER-1 modulators. As with many GPCRs, the X-ray crystal structure of GPER-1 is yet to be resolved and thus has led the researchers to search for new GPER-1 modulators using homology models of GPER-1. In this review, we aim to summarize various approaches used in the generation of GPER-1 homology model and their applications that have resulted in new GPER-1 ligands. Highlights: Features and role of homology modeling in structure. Approaches to model structure. Application of the homology model for the identification of new ligand. Communicated by Ramaswamy H. Sarma