Tag : Molecular Docking Simulation

Pharma / Biotech

Scaffold morphing of arbidol (umifenovir) in search of multi-targeting therapy halting the interaction of SARS-CoV-2 with ACE2 and other proteases involved in COVID-19.

Newsemia
Related Articles Scaffold morphing of arbidol (umifenovir) in search of multi-targeting therapy halting the interaction of SARS-CoV-2 with ACE2 and other proteases involved in COVID-19....
Pharma / Biotech

Design, Synthesis, and Biological Evaluation of Imidazo[1,2-a]pyridine Derivatives as Novel PI3K/mTOR Dual Inhibitors.

Newsemia
Related Articles Design, Synthesis, and Biological Evaluation of Imidazo[1,2-a]pyridine Derivatives as Novel PI3K/mTOR Dual Inhibitors. J Med Chem. 2020 03 26;63(6):3028-3046 Authors: Yu Y, Han...
Pharma / Biotech

New CXCR1/CXCR2 inhibitors represent an effective treatment for kidney or head and neck cancers sensitive or refractory to reference treatments.

Newsemia
Related Articles New CXCR1/CXCR2 inhibitors represent an effective treatment for kidney or head and neck cancers sensitive or refractory to reference treatments. Theranostics. 2019;9(18):5332-5346 Authors:...
AI/ML

Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds.

Newsemia
Related Articles Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds. Mol Inform. 2020 08;39(8):e2000028 Authors: Ton AT, Gentile...
AI/ML

Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S.

Newsemia
Related Articles Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S. J Comput Aided Mol Des. 2019 12;33(12):1095-1105 Authors: Yang Y, Lu J,...
AI/ML

Discovery of Aptamers Targeting the Receptor-Binding Domain of the SARS-CoV-2 Spike Glycoprotein.

Newsemia
Related Articles Discovery of Aptamers Targeting the Receptor-Binding Domain of the SARS-CoV-2 Spike Glycoprotein. Anal Chem. 2020 07 21;92(14):9895-9900 Authors: Song Y, Song J, Wei...

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