Drug Evolution Concept in Drug Design: 1. Hybridization Method†

Download
  1. Get@NRC: Drug Evolution Concept in Drug Design: 1. Hybridization Method† (Opens in a new window)
DOIResolve DOI: http://doi.org/10.1021/jm049637+
AuthorSearch for: ; Search for: ; Search for: ; Search for:
TypeArticle
Journal titleJ. Med. Chem.
Volume47
Issue27
Pages6973–6982
AbstractA novel concept, “drug evolution”, is proposed to develop chemical libraries that have a high probability of finding drugs or drug candidates. It converts biological evolution into chemical evolution. In this paper, we present “hybridization” drug evolution, which is the equivalent of sexual recombination of parental genomes in biological evolution. The hybridization essentially shuffles the building blocks of the parent drugs and ought to drug(s); no drug evolution can otherwise occur. We hybridized two drugs, benzocaine and metoclopramide and generated 16 molecules that include the parent drugs, four known drugs, and two molecules whose therapeutic activities are reported. The unusually high number of drugs and drug candidates in the library encourages high expectations of finding new drug(s) or drug candidate(s) within the remaining eight compounds. Interestingly, the therapeutic applications of the eight drugs or drug candidates in the library are fairly diverse as 38 therapeutic applications and 25 molecular targets are counted. Therefore, the library fits as a general chemical library for unspecified therapeutic activities. The hybridization of other two drugs, aspirin and cresotamide, is also described to demonstrate the generality of the method.
Publication date
AffiliationNational Research Council Canada; NRC Biotechnology Research Institute
Peer reviewedNo
NPARC number12338181
Export citationExport as RIS
Report a correctionReport a correction
Record identifiera63af3db-56a9-47a2-bec9-283174136ee2
Record created2009-09-10
Record modified2016-05-09
Bookmark and share
  • Share this page with Facebook (Opens in a new window)
  • Share this page with Twitter (Opens in a new window)
  • Share this page with Google+ (Opens in a new window)
  • Share this page with Delicious (Opens in a new window)