title: Computational models for tuberculosis drug discovery.
abstract: The search for small molecules with activity against Mycobacterium tuberculosis increasingly uses -high-throughput screening and computational methods. Previously, we have analyzed recent studies in which computational tools were used for cheminformatics. We have now updated this analysis to illustrate how they may assist in finding desirable leads for tuberculosis drug discovery. We provide our thoughts on strategies for drug discovery efforts for neglected diseases.
authors.affiliation: Collaborations in Chemistry, Fuquay Varina, NC, USA.
authors.forename: Sean
authors.initials: S
authors.lastname: Ekins
authors.forename: Joel S
authors.initials: JS
authors.lastname: Freundlich
mesh_terms: D000818:Animals; D000995:Antitubercular Agents / Q000737:chemistry / Q000494:pharmacology*; D019295:Computational Biology; D003198:Computer Simulation; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D009169:Mycobacterium tuberculosis / Q000187:drug effects*
chemical_list: D000995:Antitubercular Agents