Results 181 to 190 of about 4,185,495 (377)
Structure-based analysis of the ultraspiracle protein and docking studies of putative ligands [PDF]
, 2002 The ultraspiracle protein (USP) is the insect ortholog of the mammalian retinoid X receptor (RXR). Fundamental questions concern the functional role of USP as the heterodimerization partner of insect nuclear receptors such as the ecdysone receptor.
Billas, Isabelle M.L. +4 more
core +3 more sources
Molecular flexibility in ab initio drug docking to DNA: binding-site and binding-mode transitions in all-atom Monte Carlo simulations [PDF]
, 2005 Remo Rohs
openalex +1 more source
Molecular docking is a computational approach used to model the structural complexes that arise from the interactions between two or more molecules. Its main goal is to predict the three-dimensional configuration of the target molecule, making it a vital technique in the realm of drug development.
openaire +1 more source
Advanced Science, EarlyView.This study identifies alnustone, a natural compound from Alpinia katsumadai, as a potent therapeutic agent for MASLD and MASH. Alnustone enhances mitochondrial fatty acid β‐oxidation by directly targeting calmodulin, improving liver steatosis, fibrosis, and insulin resistance in vivo.
Shourui Hu +13 more
wiley +1 more source
Molecular docking is a structure-based drug design method that predicts the binding mode and affinity by studying the interaction of small molecule ligands with receptor biomacromolecules. Molecular docking methods are widely used in the fields of enzymology research and drug design.
openaire +1 more source
Advanced Science, EarlyView.LincNEAT1 Encoded‐NEAT1‐31 micropeptide directly binds with Aurora‐A and enhanced AKT pathways to pormotes phagocytosis against multi cancer cells. Abstract Macrophages play vital roles in innate and adaptive immunity, and their essential functions are mediated by phagocytosis and antigen presentation.
Jie Li +8 more
wiley +1 more source
Insights into the Structure and Molecular Basis of Ligand Docking to the G Protein-Coupled Secretin Receptor Using Charge-Modified Amino-Terminal Agonist Probes [PDF]
, 2005 Maoqing Dong +2 more
openalex +1 more source
piR‐RCC Suppresses Renal Cell Carcinoma Progression by Facilitating YBX‐1 Cytoplasm Localization
Advanced Science, EarlyView.PIWI‐interacting RNAs (piRNAs), a novel category of small non‐coding RNAs, have been implicated in the development of various diseases. This study explores the tumor‐suppressive mechanism of a downregulated piRNA (designated piR‐RCC) in renal cell carcinoma (RCC), and provides a delivery strategy targeting RCC tumor by constructing a cell membrane ...
Ruyue Wang +16 more
wiley +1 more source
Erratum: Abl inhibitor BMS354825 binding mode in Ableson kinase revealed by molecular docking studies [PDF]
, 2005 Carlo Gambacorti‐Passerini +3 more
openalex +1 more source
Molecular Docking Challenges and Limitations
, 2016 Today, the development of new drugs is a challenging task of science. Researchers already applied molecular docking in the drug design field to simulate ligand- receptor interactions. Docking is a term used for computational schemes that attempt to find the “best” matching between two molecules in a complex formed from constituent molecules.
Jahan B. Ghasemi +2 more
openaire +1 more source