ERIC Number: EJ1062405
Record Type: Journal
Publication Date: 2015-May
Abstractor: As Provided
Reference Count: 33
A Prospective Method to Guide Small Molecule Drug Design
Johnson, Alan T.
Journal of Chemical Education, v92 n5 p836-842 May 2015
At present, small molecule drug design follows a retrospective path when considering what analogs are to be made around a current hit or lead molecule with the focus often on identifying a compound with higher intrinsic potency. What this approach overlooks is the simultaneous need to also improve the physicochemical (PC) and pharmacokinetic (PK) properties of these compounds, and illustrates the multivariate problem the chemist must face when targeting new analogs for synthesis. To address this problem, a simple method is presented which allows the chemist to integrate PC properties into small molecule drug design in a prospective manner, prioritize new target molecules for synthesis, and potentially shorten the path to the clinic. This simple method also provides a tool for the student of medicinal chemistry to see how changes in PC properties and intrinsic potency can influence drug-like properties of small molecules during the drug discovery process.
Descriptors: Molecular Structure, Science Instruction, Chemistry, Pharmacology, Graduate Study, College Science, Organic Chemistry, Medicine, Pharmacy, Scientific Concepts, Educational Technology, Statistical Analysis
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: firstname.lastname@example.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Authoring Institution: N/A