MechBBB: A Two-Stage Mechanism Informed Machine Learning Tool for Blood Brain Barrier Permeability Prediction. [PDF]
Shin Y, Mada S, Dakshanamurthy S.
europepmc +1 more source
<i>Atractylodes</i><i>macrocephala</i> Koidz. Stimulates Dermal Papilla Cells to Promote Anagen Entry Associated with GSK3β/β-Catenin Signaling. [PDF]
Lee SH +6 more
europepmc +1 more source
Hormetic Antioxidant Effects of <i>Uncaria gambir</i> on Male Reproductive Function: A Comprehensive Experimental and Computational Analysis. [PDF]
Devita H +3 more
europepmc +1 more source
Design, synthesis, and preliminary anticancer evaluation of diphenylpropan-1-one derivatives: <i>in vitro</i>, <i>in vivo</i> and <i>in silico</i> studies. [PDF]
Najmi A +10 more
europepmc +1 more source
Efficient One-Pot Synthesis of Dibenzoxanthenes Using a Vinylimidazolium-Based Brønsted Acidic Ionic Liquid [VSBIM][Cl]: In Silico Evaluation of Drug-Likeness, ADMET Properties, PASS Analysis, Antiviral Activity Prediction, and Molecular Docking Studies. [PDF]
Deepthi T, Maiti B.
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Integrated Computational Modeling Reveals a Structurally Plausible Transient Paclitaxel-NK2R Interaction. [PDF]
Duda-Seiman C +9 more
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Cyclic Monoterpene-Aromatic Hybrids from Chiral Pool Terpenoid Ketones: Practical Synthetic Methodology for Accessing Them and In Silico Assessment as Cannabinoid Receptor CB1/CB2 Ligands. [PDF]
Kaikiti V +3 more
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Targeting the Crosstalk Between Metabolism and Chronic Inflammation: In Silico Multitargeting Drug Design Approach for Cardiometabolic Syndrome. [PDF]
Petsas E +3 more
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Isoxazole Derivative Induces Apoptosis-like Death and Autophagy through Oxidative Stress in <i>Leishmania amazonensis</i>. [PDF]
Kawano Bakoshi AB +8 more
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