Results 151 to 160 of about 27,071 (245)

ADME/drug-likeness and functional properties of Punica granatum seeds supported with molecular docking, GC-MS and LC-MS/MS analysis. [PDF]

Sci Rep
Yalçın E, Çavuşoğlu K, Acar A.
europepmc   +1 more source

Antifungal Constituents of Piper crocatum and Their Activities as Ergosterol Biosynthesis Inhibitors Discovered via In Silico Study Using ADMET and Drug-Likeness Analysis. [PDF]

Molecules, 2023
Siswina T, Rustama MM, Sumiarsa D, Apriyanti E, Dohi H, Kurnia D.   +5 more
europepmc   +1 more source

PARP inhibitors induce a senescence phenotype in non‐small cell lung carcinoma cell lines

FEBS Open Bio, EarlyView.
Talazoparib is the most potent inducer of senescence among different PARP1 inhibitors in human NSCLC cells. In the absence of PARP, no senescence phenotype was observed, demonstrating that PARP1 is necessary for the induction of senescence by this inhibitor.
Camille Huart, Manon Van den Abbeel, Christoph Schifflers, Karim Bouhjar, Andrea Scarmelotto, Alexis Khelfi, Anne‐Catherine Wera, Carine Michiels   +7 more
wiley   +1 more source

Drug-likeness prioritised selection identifies anti-<i>Escherichia coli</i> candidates confirmed by molecular docking, dynamics simulations, and antibacterial assays. [PDF]

J Enzyme Inhib Med Chem
Yu B, Zhu H, Xu L, Zhao X, Shi W.
europepmc   +1 more source

Identification of functional murine mitochondrial formyl peptides and their effects on myeloid‐derived suppressor cell generation

FEBS Open Bio, EarlyView.
We first identified functional murine mitochondrial N‐formyl peptides (MT‐FPs) and investigated their effects on the in vitro myeloid‐derived suppressor cell (MDSC) generation from bone marrow cells. We demonstrated that MT‐FPs acted directly on bone marrow cells to promote MDSC generation and modulated the polymorphonuclear (PMN)‐MDSC/monocyte (M ...
Miyako Ozawa, Saori Kagoshima, Akira Yamada   +2 more
wiley   +1 more source

AI-driven <i>de novo</i> design of BRAF inhibitors with enhanced binding affinity and optimized drug-likeness. [PDF]

PeerJ
Lu Z, Zhang A.
europepmc   +1 more source

miDruglikeness: Subdivisional Drug-Likeness Prediction Models Using Active Ensemble Learning Strategies. [PDF]

Biomolecules, 2022
Cai C, Lin H, Wang H, Xu Y, Ouyang Q, Lai L, Pei J.   +6 more
europepmc   +1 more source

Exon 7 splicing of ERα predicts poor prognosis and increases phenotypic heterogeneity in luminal a subtype breast cancer

FEBS Open Bio, EarlyView.
ERα splice variant ERα∆7 lacks the C‐terminus, and its expression may change phenotypes of breast cancers. Our results showed that ERα∆7 is found in the luminal A subtype, and elevated ERα∆7 levels are linked to improved cell survival with lower proliferation and migration.
Long Wai Tsui, Taobo Hu, Thomson Christian Husein, Wai Hei Shek, Bingrong Chen, Depeng Wang, Shu Wang, Weichuan Yu, Xiaodan Fan, Mengping Long, Toyotaka Ishibashi   +10 more
wiley   +1 more source

Comprehensive Characterization of <i>Lantana camara</i> Essential Oil from Angola: GC-MS Profiling, Antioxidant Capacity, and Drug-likeness Prediction. [PDF]

Antioxidants (Basel)
Kinkela N, Morales A, Sánchez-Martínez HA, Díaz M, Samba N, Mawunu M, Morán-Pinzón JA, Silva L, Rodilla JM, Guerrero De León E.   +9 more
europepmc   +1 more source

In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis. [PDF]

Adv Appl Bioinform Chem, 2023
Kurnia D, Putri SA, Tumilaar SG, Zainuddin A, Dharsono HDA, Amin MF.   +5 more
europepmc   +1 more source