Structural analysis and charge transfer properties of a novel pyrazoline derivative: potential energy scan, XRD, DFT and molecular docking studies

2019 ◽  
Vol 93 (10) ◽  
pp. 1275-1291 ◽  
Author(s):  
Sahaj A. Gandhi ◽  
Urmila H. Patel ◽  
V. M. Barot ◽  
N. V. S. Varma
Keyword(s):  
Molecular Docking ◽  
Charge Transfer ◽  
Structural Analysis ◽  
Potential Energy ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Transfer Properties ◽  
Pyrazoline Derivative

Exploiting the potential of aryl acetamide derived Zn(ii) complexes in medicinal chemistry: synthesis, structural analysis, assessment of biological profile and molecular docking studies

2016 ◽  
Vol 40 (8) ◽  
pp. 7084-7094 ◽  
Author(s):  
Kishwar Sultana ◽  
Sumera Zaib ◽  
Najm ul Hassan Khan ◽  
Imtiaz Khan ◽  
Khadija Shahid ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Structural Analysis ◽  
Medicinal Chemistry ◽  
Enzyme Inhibitors ◽  
Docking Studies ◽  
Biological Profile ◽  
Molecular Docking Studies

This study reports an unprecedented series of aryl acetamide derived Zn(ii) complexes as frontline enzyme inhibitors as well as anticancer and anti-parasitic agents.

STRUCTURAL ANALYSIS AND MOLECULAR DOCKING STUDIES OF THYMOGEN

2021 ◽  
Vol 62 (11) ◽  
pp. 1783-1794
Author(s):  
G. A. Akverdieva ◽  
N. M. Godjayev ◽  
S. D. Demukhamedova
Keyword(s):  
Molecular Docking ◽  
Structural Analysis ◽  
Docking Studies ◽  
Molecular Docking Studies

Toxicity, structural analysis, and molecular docking studies of selected isonicotinohydrazide analogs

2021 ◽  
Author(s):  
Aleksandra Rakic ◽  
Dusan Dimic ◽  
Jasmina Dimitric Markovic ◽  
Dejan Milenkovic ◽  
Zoran Markovic
Keyword(s):  
Molecular Docking ◽  
Structural Analysis ◽  
Docking Studies ◽  
Molecular Docking Studies

scholarly journals Structural analysis and molecular docking studies of nitrogen containing steroidal compounds as potential antitumor agents

2015 ◽  
Vol 71 (a1) ◽  
pp. s264-s265
Author(s):  
Olivera R. Klisurić ◽  
Edward T. Petri ◽  
Anđelka S. Ćelić ◽  
Katarina M. Penov Gaši ◽  
Marija N. Sakač ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Structural Analysis ◽  
Antitumor Agents ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Potential Antitumor
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