Drug-likeness, a qualitative property of chemicals assigned by experts committee vote, is widely integrated into the early stages of lead and drug discovery. Its conceptual evolution paralleled work related to Pfizer's rule of five and lead-likeness, and is placed within this framework. The ...
Understanding drug‐likeness 来自 学术范 喜欢 0 阅读量: 182 摘要: Drug-likeness, a qualitative property of chemicals assigned by experts committee vote, is widely integrated into the early stages of lead and drug discovery. Its conceptual evolution paralleled work related to Pfizer's rule of five...
Similarly, describing an addictive and potentially lethal drug as a seductive female ('Golden Brown') or a vampire ('The Beast') helps to illustrate the power that the drug has. To compare the destructive effects of heroin, and its hold over the mind of its users, with the deliberate mach...
Accordingly, the thought of the infinite comes from the thought of •likeness, or of the •same principle, and it has the same origin as do universal necessary truths. That shows how our ability to carry through the conception of this idea comes from something within us, and couldn't ...
drug attritiondrug propertieslead-likenessmarketed drugsmedicinal chemistryrule of fiveSummary There are several unexpected and key findings made over recent years that the modern medicinal chemist must be aware of. The physical properties of drugs discussed in this chapter are molecular weight (MW), ...
By extracting drug/endogenite substructures, we develop a novel family of fingerprints, the Drug Endogenite Substructure (DES) encodings, based on the ranked frequency of the various substructures. These provide a natural assessment of drug-endogenite likeness, and may be used as descriptors with ...
The druglikeness of ACT was measured using the TCMSP database, and its potential targets were identified by both of ChemMapper and PharmMapper based on 3D-structure similarity. By mapping the potential targets obtained from ChemMapper and PharmMapper, the intersecting targets were screened as ...
The druglikeness of ACT was measured using the TCMSP database, and its potential targets were identified by both of ChemMapper and PharmMapper based on 3D-structure similarity. By mapping the potential targets obtained from ChemMapper and PharmMapper, the intersecting targets were screened as ...
After refinement by molecular docking and drug‐likeness analysis, four potential inhibitors (ZINC1483899, ZINC1754310, ZINC2269664, and ZINC15729522) were identified. These four ligands with phenyl‐diketo acid were further subjected to molecular dynamics simulation to compare the dynamics and stability...
Kell, D.B. Implications of endogenous roles of transporters for drug discovery: Hitchhiking and metabolite-likeness. Nat. Rev. Drug Discov. 2016, 15, 143. [CrossRef] [PubMed] 47. Busi, R.; Goggin, D.E.; Heap, I.; Horak, M.J.; Jugulam, M.; Masters, R.A.; Napier, R.M.;...