Results 61 to 70 of about 118,878 (273)
Beilstein Journal of Organic Chemistry, 2012 Mycoplasma fermentans possesses unique α-glycolipid antigens (GGPL-I and GGPL-III) at the cytoplasm membrane, which carry a phosphocholine group at the sugar primary (6-OH) position.
Yoshihiro Nishida +6 more
doaj +1 more source
Molecules, 2013 Ecdysteroids, molting hormones of insects, can exert several mild, non-hormonal bioactivities in mammals, including humans. In a previous study, we have found a significant effect of certain derivatives on the ABCB1 transporter mediated multi-drug ...
Ana Martins +8 more
doaj +1 more source
Advanced Science, EarlyView.TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin +11 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng +4 more
wiley +1 more source
SAM-dependent enzyme-catalysed pericyclic reactions in natural product biosynthesis. [PDF]
, 2017 Pericyclic reactions-which proceed in a concerted fashion through a cyclic transition state-are among the most powerful synthetic transformations used to make multiple regioselective and stereoselective carbon-carbon bonds.
Chen, Mengbin +9 more
core +1 more source
Marine Drugs, 2020 The harpacticoid copepod Tigriopus californicus has been recognized as a model organism for the study of marine pollutants. Furthermore, the nutritional profile of this copepod is of interest to the aquafeed industry.
Alfonso Prado-Cabrero +2 more
doaj +1 more source
Stereochemical outcomes of C–F activation reactions of benzyl fluoride
Beilstein Journal of Organic Chemistry, 2018 In recent years, the highly polar C–F bond has been utilised in activation chemistry despite its low reactivity to traditional nucleophiles, when compared to other C–X halogen bonds.
Neil S. Keddie +4 more
doaj +1 more source
Stereochemistry of Polypeptide Conformation in Coarse Grained Analysis
, 2013 The conformations available to polypeptides are determined by the interatomic forces acting on the peptide units, whereby backbone torsion angles are restricted as described by the Ramachandran plot.
Hendrickson, Wayne A, Korkut, Anil
core +1 more source
Crystal structure of 9-methacryloylanthracene
Acta Crystallographica Section E: Crystallographic Communications, 2015 In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) Å out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is
Aditya Agrahari +4 more
doaj +1 more source
Focus on chirality of HIV-1 non-nucleoside reverse transcriptase inhibitors [PDF]
, 2016 Chiral HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) are of great interest since one enantiomer is often more potent than the corresponding counterpart against the HIV-1 wild type (WT) and the HIV-1 drug resistant mutant strains.
Famiglini, Valeria, Silvestri, Romano
core +2 more sources