Even at the early stages of drug discovery and structure-based drug design, the pharmacokinetic, pharmacodynamic and toxicological consequences of drug metabolism cannot be ignored. Drug metabolism is also of interest to medicinal chemists in the design of drugs with controlled, predictable deactivation ...
The essentials of drug metabolism vital to developing new therapeutic entitiesInformation on the metabolism and disposition of candidate drugs is a critical part of all aspects of the drug discovery and development process. Drug metabolism, as practiced in the pharmaceutical industry today, is a comple...
Evaluation of DA-9801, a new herbal drug for diabetic neuropathy, on metabolism-mediated interaction. Arch. Pharm. Res. 36, 1–5 (2013). PubMed Google Scholar Roemer, T. & Krysan, D. J. Antifungal drug development: challenges, unmet clinical needs, and new approaches. Cold Spring Harb...
Drug development based on target proteins has been a successful approach in recent decades. However, the conventional structure-based drug design (SBDD) pipeline is a complex, human-engineered process with multiple independently optimized steps. Here, we propose a sequence-to-drug concept for computat...
These drugs are chemically synthesized with a well-defined structure and based on their size (<1 kDa), they generally need to be administered once or twice daily. The route of administration is typically oral and after administration t...
Based on the metabolism of the potent cholesterol absorption inhibitor (-) SCH48461 and structure activity relationship information, we designed and evaluated (-)SCH 53079. This compound was found to be equipotent to (-)SCH 48461 in both the cholesterol-fed hamster and rhesus monkey assays. Imp...
Journal of Medicinal Chemistry - Peptide-Based Drug Design: Controlling Transport and Metabolism Editors: Michael D. Taylor and Gordon L. Amidon. American Chemical Society, Washington, D.C. 1995. xviii + 567 pp. 18.5 × 26 cm. ISBN 0-841... Pottorf,S Richard - 《Journal of Medicinal Che...
Make It or Take It: Fatty Acid Metabolism of Apicomplexan Parasites. Eukaryot. Cell 2007, 6, 1727–1735. [Google Scholar] [CrossRef] [Green Version] Mazumdar, J.; Wilson, E.H.; Masek, K.; Hunter, C.A.; Striepen, B. Apicoplast fatty acid synthesis is essential for organelle ...
of Surrey has examined the physical/chemical characteristics of CYP substrates as predictors of the preferred CYP isoform for their metabolism with a view toward predicting which isoforms would be most likely to participate in the processing of a new chemical entity (NCE) based on first principles....
et al. Prediction of UGT-mediated metabolism using the manually curated MetaQSAR database. ACS Med. Chem. Lett. 10, 633–638 (2019). Article CAS PubMed Central PubMed Google Scholar Santos, R. et al. A comprehensive map of molecular drug targets. Nat. Rev. Drug Discov. 16, 19–34...