Art

J-GLOBAL ID：202102217866365612   Reference number：21A2113756

In Silico Strategies in Tuberculosis Drug Discovery

結核創薬におけるin silico戦略【JST・京大機械翻訳】

Author (5)： Macalino Stephani Joy Y. (Chemistry Department, De La Salle University, 2401 Taft Avenue, Manila 0992, Philippines) ,  Macalino Stephani Joy Y. (OVPAA-EIDR Program, “Computer-Aided Discovery of Compounds for the Treatment of Tuberculosis in the Philippines”, Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Manila, Manila 1000, Philippines) ,  Billones Junie B. (OVPAA-EIDR Program, “Computer-Aided Discovery of Compounds for the Treatment of Tuberculosis in the Philippines”, Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Manila, Manila 1000, Philippines) ,  Organo Voltaire G. (OVPAA-EIDR Program, “Computer-Aided Discovery of Compounds for the Treatment of Tuberculosis in the Philippines”, Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Manila, Manila 1000, Philippines) ,  Carrillo Maria Constancia O. (OVPAA-EIDR Program, “Computer-Aided Discovery of Compounds for the Treatment of Tuberculosis in the Philippines”, Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Manila, Manila 1000, Philippines)
Material： Molecules (Web)
Volume： 25  Issue： 3  Page： 665  Publication year： 2020 
JST Material Number： U7014A  ISSN： 1420-3049  CODEN： MOLEFW  Document type： Article
Article type： 文献レビュー  Country of issue： Switzerland (CHE)  Language： ENGLISH (EN)

Abstract/Point： Tuberculosis (TB) remains a se...

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Thesaurus term： docking ,  *tuberculosis ,  antibiotics ,  mortality ,  drug resistance ,  drug therapy ,  public health ,  quantitative structure-activity relationship
Semi thesaurus term： 薬物毒性 ,  アゴニスト ,  *in silico ,  *創薬 , 【Automatic Indexing@JST】

Author keywords (7)： tuberculosis ,  druggability ,  docking ,  pharmacophore ,  MD simulation ,  QSAR ,  DFT

JST classification (4)： Basic research of enzyme preparations and enzyme inhibitor preparations  (GW21010W) ,  Basic research of antiprotozoan drugs and anthelmintics  (GW17080G) ,  Basic research of antibacterial drugs  (GW17020S) ,  Computer simulation  (JE11000H)

Reference (295)：

• Pai, M.; Behr, M.A.; Dowdy, D.; Dheda, K.; Divangahi, M.; Boehme, C.C.; Ginsberg, A.; Swaminathan, S.; Spigelman, M.; Getahun, H.; et al. Tuberculosis. Nat. Rev. Dis. Primers 2016, 2, 16076.
• Havlir, D.V.; Getahun, H.; Sanne, I.; Nunn, P. Opportunities and challenges for HIV care in overlapping HIV and TB epidemics. JAMA 2008, 300, 423-430.
• Leung, C.C.; Yew, W.W.; Chan, C.K.; Chang, K.C.; Law, W.S.; Lee, S.N.; Tai, L.B.; Leung, E.C.; Au, R.K.; Huang, S.S.; et al. Smoking adversely affects treatment response, outcome and relapse in tuberculosis. Eur. Respir. J. 2015, 45, 738-745.
• Imtiaz, S.; Shield, K.D.; Roerecke, M.; Samokhvalov, A.V.; Lonnroth, K.; Rehm, J. Alcohol consumption as a risk factor for tuberculosis: Meta-analyses and burden of disease. Eur. Respir. J. 2017, 50, 1700216.
• Restrepo, B.I. Diabetes and Tuberculosis. In Understanding the Host Immune Response against Mycobacterium tuberculosis Infection; Springer International Publishing: Cham, Switzerland, 2018; pp. 1-21.

Terms in the title (3)： 結核 ,  創薬 ,  戦略