Homology modeling and molecular docking study of corticotrophin-releasing hormone: An approach to treat stress-related diseases

Abstract

Abstract Corticotropin-releasing hormone receptors (CRHRs), also termed corticotropin-releasing factor receptors, are linked to G-protein-coupled receptor class. Corticotropin-releasing hormone (CRH) is medically significant in stress, immune response, gastrointestinal motility, and eating patterns. It serves as a releasing hormone and is encoded by the CRH gene. It has been established that there are two subtypes of CRHRs: CRH1-R and CRH2-R. These receptors, representing types 1 and 2, respectively, play a crucial role in regulating biological functions triggered by CRH. To treat stress-related gut abnormalities and stress-related disorders, regulation and optimization of CRH1-R and CRH2-R have turned into a novel idea. The three-dimensional (3D) structure of CRH is not completely recognized, and it is believed that the peptide key unit is helical and both the ultimate edges are relatively unsaturated. We can envisage its 3D structure from the amino acid order of a model protein by homology modeling procedures using Molecular Operating Environment and the Iterative Threading Assembly Refinement program. The assessment and authentication of the 3D structure were performed with RAMPAGE and ERRATE online servers. Utilizing the 3D structure of the target protein and predictions of its active site assists us in the development of new drug candidates aimed at treating disorders associated with stress. CRHR was docked with 19 CP376395 analogs acting as antagonists.