The identification of novel Mycobacterium tuberculosis DHFR inhibitors and the investigation of their binding preferences by using molecular modelling

Scientific Reports

Volumn 5, Issue , 2015, Pages

  Hong, Wei ^a   Wang, Yu ^b   Chang, Zhe ^b   Yang, Yanhui ^b   Pu, Jing ^b   Sun, Tao ^b   Kaur, Sargit ^c   Sacchettini, James C ^d   Jung, Hunmin ^d   Lin Wong, Wee ^e   Fah Yap, Lee ^e   Fong Ngeow, Yun ^c   Paterson, Ian C ^e   Wang, Hao ^b  

^a BEIFANG UNIVERSITY OF NATIONALITIES   (China)

^b NINGXIA MEDICAL UNIVERSITY   (China)

^c UNIVERSITI TUNKU ABDUL RAHMAN   (Malaysia)

^d TEXAS A AND M UNIVERSITY   (United States)

^e UNIVERSITY OF MALAYA   (Malaysia)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIINFECTIVE AGENT; DIHYDROFOLATE REDUCTASE; FOLIC ACID ANTAGONIST; GLYCEROL; RECOMBINANT PROTEIN;

BINDING SITE; BIOSYNTHESIS; CHEMISTRY; CONFORMATION; DRUG DESIGN; DRUG EFFECTS; ENZYMOLOGY; GENETICS; HUMAN; HYDROGEN BOND; ISOLATION AND PURIFICATION; METABOLISM; MICROBIAL SENSITIVITY TEST; MOLECULAR DOCKING; MYCOBACTERIUM TUBERCULOSIS; PROTEIN TERTIARY STRUCTURE; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ANTI-BACTERIAL AGENTS; BINDING SITES; DRUG DESIGN; FOLIC ACID ANTAGONISTS; GLYCEROL; HUMANS; HYDROGEN BONDING; MICROBIAL SENSITIVITY TESTS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MYCOBACTERIUM TUBERCULOSIS; PROTEIN STRUCTURE, TERTIARY; RECOMBINANT PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYDROFOLATE DEHYDROGENASE; THERMODYNAMICS;

EID: 84944213150     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep15328     Document Type: Article

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