Results 221 to 230 of about 536,687 (331)
Discovery of a Phenylalanine‐Derived Natural Compound as a Potential Dual Inhibitor of MDM2 and MDMX
P5, a novel phenylalanine‐derived compound isolated from Micromonospora sp. MS‐62, exhibits dual inhibition of MDM2 and MDMX. Molecular docking and SPR confirm its nanomolar affinity and sustained binding kinetics. In silico profiling reveals high GI absorption, BBB permeability, and drug‐likeness, highlighting its potential as a lead for p53‐targeted ...
Ja Young Cho+5 more
wiley +1 more source
An efficient method based on generative adversarial networks is proposed using small‐sized datasets. The atomic and molecular cluster configuration spaces are investigated to show the generation ability of the proposed method. Benchmark results demonstrate superior performance over the widely used genetic algorithms.
Jintao Xie, Qing Lu, Wensheng Bian
wiley +1 more source
Symptom Onset in Classic Rett Syndrome: Analysis of Initial Clinical Severity Scale Entries
ABSTRACT Objective We aim to assess the clinical features of Rett syndrome (RTT) at registration into the National Institutes of Health–sponsored natural history study (NHS) using the Clinical Severity Scale (CSS). Introduction The CSS was established in 2000 to assess characteristics of individuals with RTT and related disorders.
Alan K. Percy+4 more
wiley +1 more source
[Studies of rearrangement reactions. X. Smiles rearrangement on pyridine derivatives. 7].
Y. MAKI, Makoto Sato, Kazuko Yamane
openalex
Semi‐Automated Pipeline for Transition State Search of Molecular Photoswitches
A semi‐automated pipeline for the transition state search of molecular switches (PiTS3) is reported, which facilitates the search, optimization, and conformational analysis of transition states of photochemical switches based on the stilbene, imine, aza‐diarylethene, and norbornadiene structures.
Roman Yu. Peshkov+2 more
wiley +1 more source