title: A model to predict anti-tuberculosis activity: value proposition for marine microorganisms.
abstract: The development of new antibiotics effective against all strains of tuberculosis (TB) is needed. To evaluate the potential of marine microbe-derived natural products as anti-TB leads, we analyzed and compared the physico-chemical properties of 39 current TB drugs and candidates against 60 confirmed mycobacteria-active natural products. We showed that anti-TB natural products sourced from marine microbes have a large overlap with TB drug-like space. A model to predict potential anti-TB drugs is proposed.
authors.affiliation: Eskitis Institute for Drug Discovery, Griffith University, Brisbane, QLD, Australia.|Chinese Academy of Sciences, Key Laboratory of Pathogenic Microbiology and Immunology, Institute of Microbiology, Chinese Academy of Sciences, Beijing, China.|University of Chinese Academy of Sciences, Beijing, China.
authors.forename: Miaomiao
authors.initials: M
authors.lastname: Liu
authors.affiliation: Eskitis Institute for Drug Discovery, Griffith University, Brisbane, QLD, Australia.
authors.forename: Tanja
authors.initials: T
authors.lastname: Grkovic
authors.affiliation: Chinese Academy of Sciences, Key Laboratory of Pathogenic Microbiology and Immunology, Institute of Microbiology, Chinese Academy of Sciences, Beijing, China.
authors.forename: Lixin
authors.identifier: http://orcid.org/0000-0003-0894-9520
authors.initials: L
authors.lastname: Zhang
authors.affiliation: Chinese Academy of Sciences, Key Laboratory of Pathogenic Microbiology and Immunology, Institute of Microbiology, Chinese Academy of Sciences, Beijing, China.
authors.forename: Xueting
authors.initials: X
authors.lastname: Liu
authors.affiliation: Eskitis Institute for Drug Discovery, Griffith University, Brisbane, QLD, Australia.
authors.forename: Ronald J
authors.identifier: http://orcid.org/0000-0002-4022-2623
authors.initials: RJ
authors.lastname: Quinn
mesh_terms: D000995:Antitubercular Agents / Q000737:chemistry / Q000302:isolation & purification / Q000494:pharmacology*; D059001:Aquatic Organisms / Q000382:microbiology; D001688:Biological Products / Q000737:chemistry / Q000302:isolation & purification / Q000494:pharmacology*; D015195:Drug Design; D006801:Humans; D008962:Models, Theoretical; D009169:Mycobacterium tuberculosis / Q000187:drug effects; D014376:Tuberculosis / Q000188:drug therapy / Q000382:microbiology
chemical_list: D000995:Antitubercular Agents; D001688:Biological Products