Tag : Structure-Activity Relationship

AI/ML

Structure guided prediction of Pyrazinamide resistance mutations in pncA.

Newsemia
Related Articles Structure guided prediction of Pyrazinamide resistance mutations in pncA. Sci Rep. 2020 02 05;10(1):1875 Authors: Karmakar M, Rodrigues CHM, Horan K, Denholm JT,...
Pharma / Biotech

Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.

Newsemia
Related Articles Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases....
Pharma / Biotech

Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.

Newsemia
Related Articles Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J Med Chem. 2020 05 14;63(9):4468-4483 Authors: Kettle JG,...
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....
Dermatology

Interaction of C20-substituted derivative of pregnenolone acetate with copper (II) leads to ROS generation, DNA cleavage and apoptosis in cervical cancer cells: Therapeutic potential of copper chelation for cancer treatment.

Newsemia
Related Articles Interaction of C20-substituted derivative of pregnenolone acetate with copper (II) leads to ROS generation, DNA cleavage and apoptosis in cervical cancer cells: Therapeutic...
Pharma / Biotech

Multifunctional nanoparticles from albumin for stimuli-responsive efficient dual drug delivery.

Newsemia
Related Articles Multifunctional nanoparticles from albumin for stimuli-responsive efficient dual drug delivery. Bioorg Chem. 2019 07;88:102959 Authors: Nosrati H, Abhari F, Charmi J, Davaran S,...
Pharma / Biotech

Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.

Newsemia
Related Articles Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability. Bioorg Med Chem Lett. 2019...
Pharma / Biotech

Discovery of novel pyridazine derivatives as glucose transporter type 4 (GLUT4) translocation activators.

Newsemia
Related Articles Discovery of novel pyridazine derivatives as glucose transporter type 4 (GLUT4) translocation activators. Bioorg Med Chem Lett. 2019 07 15;29(14):1785-1790 Authors: Tsuji T,...
Cardiology

Spermidine-enhanced autophagic flux improves cardiac dysfunction following myocardial infarction by targeting the AMPK/mTOR signalling pathway.

Newsemia
Related Articles Spermidine-enhanced autophagic flux improves cardiac dysfunction following myocardial infarction by targeting the AMPK/mTOR signalling pathway. Br J Pharmacol. 2019 09;176(17):3126-3142 Authors: Yan J,...

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