Computational identification of Moracin G and Isolonchocarpin as potent MELK inhibitors for anticancer drug discovery. [PDF]
Sci RepPrasad P +3 more
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Galloylation-Driven Anchoring of the Asp325-Asp336 Ridge: The Molecular Logic Behind the Superior Kinetic Stabilization of HMPV Fusion Protein by Green Tea Dimeric Catechins. [PDF]
MoleculesNilewar SS +7 more
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Identification of polyphenols as novel neuropilin-1 cendR pocket inhibitors to block SARS-CoV-2 entry and enhance variant resistance. [PDF]
PLoS OneAtaya F, Alamro A, Alghamdi A, Fouad D.
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Pharmacokinetics and Toxicity Overview of Active Compounds Berberine, Palmatine, and Jatrorrhizine From <i>Fibraurea tinctoria</i> Lour: Drug-Likeness, ADMET Prediction, and In Vivo Extract Toxicity Assessment. [PDF]
J ToxicolPurwaningsih I +3 more
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In Silico identification of inhalable small-molecule IL-33/ST2 antagonists for severe type-2-high asthma endotypes. [PDF]
Sci RepSun G, Liu Q, Yu M, Han K, Huang L.
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Design, synthesis and biological evaluation of 2,5-diaryloxazolo[4,5-<i>d</i>]pyrimidin-7-ylamines as selective cytotoxic agents against HeLa cells. [PDF]
Beilstein J Org ChemKachaeva MV +6 more
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Investigation of Acoramidis-based ionic liquids as potential stabilizers of transthyretin using DFT calculations, molecular docking, and ADMET studies. [PDF]
Sci RepMostaghni F, Mahani NM.
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Correction to: Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction. [PDF]
Brief Bioinformeuropepmc +1 more source