Title:G-Protein Coupled Receptors (GPCRs): A Comprehensive Computational Perspective
Volume: 18
Issue: 4
Author(s): M. Ramesh and Mahmoud E. Soliman
Affiliation:
Keywords:
Computer-aided drug design, GPCRs, molecular modeling.
Abstract: GPCRs are ubiquitous in most of the organs of the human body. These receptors were found to be
the important targets to attenuate inflammation, cancer, cardiac dysfunction, diabetes, etc. The advanced
technologies employed on GPCRs provided an opportunity to understand the physiological process of
various diseases. Recently, GPCRs were viewed as viable therapeutic targets to deliver safer and more
efficacious drug. In the literature, several computational studies were reported to describe the biological
mechanism, function and three-dimensional structure of GPCRs. These studies revealed the multiple
conserved transmembrane domains of GPCRs which were connected by intra and extracellular loops. In this
review, we provide an updated overview on the computational tools and methodologies which were
conducted to explore the structural and mechanistic features of GPCRs. The study also demonstrates the most recent computeraided
drug design approaches employed on GPCRs. This review provides the information that can be exploited toward the
molecular understanding of GPCRs with an aim to design the novel ligands for GPCRs.
