scholarly journals Crystal Structure and Mechanistic Molecular Modeling Studies of Mycobacterium tuberculosis Diterpene Cyclase Rv3377c

Biochemistry ◽  
2020 ◽  
Vol 59 (47) ◽  
pp. 4507-4515
Author(s):  
Yue Zhang ◽  
Lisa M. Prach ◽  
Terrence E. O’Brien ◽  
Frank DiMaio ◽  
Daniil M. Prigozhin ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Mycobacterium Tuberculosis ◽  
Molecular Modeling ◽  
Modeling Studies ◽  
Diterpene Cyclase ◽  
Molecular Modeling Studies

Pentamidine Congeners. 3. Crystal Structure and Molecular Modeling Studies of trans-1,4-Bis( 4-amidinphenoxy)-2-butene

1995 ◽  
Vol 84 (4) ◽  
pp. 448-455 ◽  
Author(s):  
Isaac O. Donkor ◽  
Cheryl L. Klein ◽  
Li Liang ◽  
G. Craig Hill
Keyword(s):  
Crystal Structure ◽  
Molecular Modeling ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Dihydroquinoline derivative as a potential anticancer agent: synthesis, crystal structure, and molecular modeling studies

2020 ◽  
Author(s):  
W. F. Vaz ◽  
J. M. F. Custodio ◽  
G. D. C. D’Oliveira ◽  
B. J. Neves ◽  
P. S. C. Junior ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Modeling ◽  
Anticancer Agent ◽  
Modeling Studies ◽  
Molecular Modeling Studies

scholarly journals Molecular modeling studies and in vitro screening of dihydrorugosaflavonoid and its derivatives against Mycobacterium tuberculosis

RSC Advances ◽  
2018 ◽  
Vol 8 (19) ◽  
pp. 10634-10643 ◽  
Author(s):  
Ninad V. Puranik ◽  
Pratibha Srivastava ◽  
Sagar Swami ◽  
Amit Choudhari ◽  
Dhiman Sarkar
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Molecular Modeling ◽  
In Vitro Screening ◽  
Modeling Studies ◽  
Drug Regimens ◽  
Molecular Modeling Studies ◽  
Novel Drug

Novel drug regimens against tuberculosis (TB) are urgently needed and may be developed by targeting essential enzymes of Mtb that sustain the pathogenicity of tuberculosis. Dihydrorugosaflavonoid interacted with the active pocket of MabA and PanK.

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