We validated this hypothesis and identified multiple small molecules effective against the SARS-CoV-2 3CL protease, but initially with moderate potencies and suboptimal selectivity. We characterized their binding mechanisms to the 3CL protease, which provided the foundation for structure-based optimization...
M. Principles for targeting RNA with drug-like small molecules. Nat. Rev. Drug Discov. 17, 547–558 (2018). Article CAS PubMed PubMed Central Google Scholar Di Giorgio, A. & Duca, M. Synthetic small-molecule RNA ligands: future prospects as therapeutic agents. MedChemComm 10, 1242–...
A large contributor to this poor success rate is failure of small molecules to pass through the blood-brain barrier (BBB), a barrier composed of capillary endothelial cells connected by tight junctions that functions to extrude xenobiotics from the brain. Designing small molecules to be BBB ...
Azo-based multifunctional molecules and their copper(II) complexes as potential inhibitors against Alzheimer's disease: XRD/Hirshfeld analysis/DFT/molecula... Druglike nature, medicinal chemistry friendliness, and multiple toxicological were predicted using free SwissADME software and the ProTox-II ...
This potential drug was also found to enhance the therapeutic effects of enzalutamide, another small molecule currently used in the clinical treatment of prostate cancer. In the same year was the discovery of novel drug-like small molecules capable of reversing biological dysfunctions associated with ...
Probing Binding Modes of Small Molecule Inhibitors to the Polo-Box Domain of Human Polo-like Kinase 1 Lett. 1 , 110–114.Liao C, Park JE, Bang JK, Nicklaus MC, Lee KS. Exploring potential binding modes of small drug-like molecules to the polo-box domain of human polo-like kinase 1....
A recent report demonstrates in vivo proof of principle using drug-like small molecules that target HDM2.关键词: Proteins inhibitors Small Molecule Age NOS 蛋白质类 DOI: 10.1016/j.tips.2004.04.011 被引量: 115 年份: 2004 收藏 引用 批量引用 报错 分享 ...
Small organic molecules, including small molecule based fluorescent probes, small molecule based drugs or prodrugs, and smart multifunctional fluorescent drug delivery systems play important roles in biological research, drug discovery, and clinical practices. Despite the significant progress made in these ...
One particular challenge is to design small-molecules fitting in the flat PB1–PB2 interface. 5.3. Nucleoprotein (NP) as the drug target The influenza virus nucleoprotein (NP) is one of the most abundant viral proteins produced in the virus replication process inside the host cell. During the...
If focus is placed on such druggable binding sites in RNA, extensive knowledge of the typical physicochemical properties of drug-like small molecules could then enable small-molecule drug discovery for RNA targets to become (only) roughly as difficult as for protein targets. This is a preview of...