solve the structure using PDB: 8DUK with the ligand removed as the starting model. Elbow was used to generate ligand constraints. Ligands were placed in the orthosteric hormone binding pocket after clear difference density was observed following the first round of refinement using Phenix refine [65...
The three-dimensional (3D) molecular structure files of key target proteins were searched for in the RCSB PDB protein database. The 3D structures of the compounds were sourced from PubChem (https://pubchem.ncbi.nlm.nih.gov/). The AutoDock software (VINA 1.1.2) was used for binding energy...
βth-heyTdrleovxeylsstewroeirde asmingRdnTNHiofAiscvdael3enrbvitfe6lyylsmtdhwReeecNrpreAeuasrilsiegteyvndeioflbsifcytwahEnee2trleLayenndyodedtcPicgrPhecaaTesnletlgdsre,edbtahytbmeEyPe2EnLa2Ctn, PdbsPu(PTitsP,noToolartbtDeubdtyPwNaDte.PPreNNnDtorte1ca4ht)maannegndetdA(FbLyiCgDs. 4(PiBs...