One distinguishing feature of CCKR is its ability to interact with a sulfated ligand and to couple with divergent G-protein subtypes, including G, Gand G. However, the basis for G-protein coupling promiscuity and ligand recognition by CCKR remains unknown. Here, we present three cryo-electron...
Combined with mutational analysis, functional assays and molecular dynamic simulations, we elucidate the structural basis of drug polypharmacology and identify the species-specific differences between human and mouse TAAR1. Our study provides insights into the mechanism of ligand recognition and G-protein ...
5.5.1 Protein–ligand interaction Protein–ligand interaction is important in drug–receptor interaction for pharmacological activity, enzyme–substrate interaction in catalysis, antibody–antigen recognition, and the drug–plasma protein interaction influencing tissue distribution. Protein–drug (or ligand) int...
e.g. surfactant, polyphenols, co-solvents, osmolytes etc. referred as ligands. Ligands are the molecules that are able to bind to a protein with high affinity and specificity[10]. The interaction of the ligand with protein is of outmost importance in biological world in context to drug ...
Protein design aims to understand the fundamentals of protein structure by creating novel proteins with pre-specified folds. An equally important goal is to understand protein function by creating novel proteins with pre-specified activities. Here we describe the design and characterization of a tetratri...
(1996). What can we learn from molecular recognition in protein-ligand complexes for the design of new drugs? Angew. Chem. Int. Ed. Engl. 35, 2588-2614.Bohm HJ, Klebe G (1996) What can we learn from molecular recognition in protein-ligand complexes for the design of new drugs? Angew...
Molecular basis of ligand recognition and transport by glucose transporters 热度: Making Sense of People - Decoding the Mysteries of Personality 2011 热度: comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes the prediction accuracy of.十个对接项目的综合评价各种...
noncovalent bonds to both the protein and the ligand, thereby influencing recognition processes. For example, interface water molecules can act as shape modifiers, hydrogen bond bridges, or as electrostatic screens. [6] Furthermore, solvent and ...
书名: Protein-Ligand Interactions 作者: Bohm, H. J. (EDT)/ Schneider, G. (EDT) 副标题: From Molecular Recognition to Drug Design (Methods and Principles in Medicinal Chemistry) 页数: 300 出版社: Wiley-VCH 出版年: 2003-05-06 第1页 Preface ...
G-protein coupled receptors (GPCRs) represent one of the most important families of drug targets in pharmaceutical development. GLIDA is a public GPCR-related Chemical Genomics database that is primarily focused on the integration of information between GPCRs and their ligands. It provides interaction...