Exploring key features of selectivity in somatostatin receptors through molecular dynamics simulations.

ABSTRACT: Somatostatin receptors (SSTRs) are widely distributed throughout the human body and play crucial roles in various physiological processes. They are recognized as key targets for both radiotherapy and radiodiagnosis due to their overexpression in several cancer types. However, the discovery and design of selective drugs for each of the five isoforms have been significantly hindered by the lack of complete structural information. In this study, we conducted a systematic computational analysis of all five SSTRs in complex with the endogenous ligand somatostatin to elucidate their structural and dynamic features. We thoroughly characterized each isoform using available experimental structures for SSTR2 and SSTR4, as well as AlphaFold2 models for SSTR1, SSTR3, and SSTR5. By performing multi-cop

SUBMITTER: Guccione C 

PROVIDER: S-EPMC11630666 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature