Synthesis, molecular docking, and in silico ADME prediction of some fused pyrazolo[1,5-a]pyrimidine and pyrazole derivatives as potential antimicrobial agents

2021 ◽  
Author(s):  
Ashraf S. Hassan ◽  
Nesrin M. Morsy ◽  
Hassan M. Awad ◽  
Ahmed Ragab
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Antimicrobial Agents ◽  
Pyrazole Derivatives ◽  
Adme Prediction ◽  
In Silico Adme Prediction

Antileishmanial activity of novel indolyl–coumarin hybrids: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction

2016 ◽  
Vol 26 (3) ◽  
pp. 829-835 ◽  
Author(s):  
Jaiprakash N. Sangshetti ◽  
Firoz A. Kalam Khan ◽  
Abhishek A. Kulkarni ◽  
Rajendra H. Patil ◽  
Amol M. Pachpinde ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Docking Study ◽  
Biological Evaluation ◽  
Antileishmanial Activity ◽  
Molecular Docking Study ◽  
Design Synthesis ◽  
Adme Prediction ◽  
In Silico Adme Prediction

scholarly journals Identification of degradation products of saquinavir mesylate by LC-MS: Molecular docking and in silico ADME prediction studies

2018 ◽  
Author(s):  
Kiran Gangarapu ◽  
Julakanti Venu ◽  
Mulagada Monja ◽  
Thumma Gouthami ◽  
Vasudha Bakshi
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Degradation Products ◽  
Adme Prediction ◽  
In Silico Adme Prediction

Biofilm inhibition of linezolid-like Schiff bases: Synthesis, biological activity, molecular docking and in silico ADME prediction

2015 ◽  
Vol 25 (4) ◽  
pp. 874-880 ◽  
Author(s):  
Jaiprakash N. Sangshetti ◽  
Firoz A. Kalam Khan ◽  
Rajendra H. Patil ◽  
Sayali D. Marathe ◽  
Wasudev N. Gade ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Schiff Bases ◽  
In Silico ◽  
Biofilm Inhibition ◽  
Adme Prediction ◽  
In Silico Adme Prediction

In Silico ADME Prediction: Data Sets and Models

2005 ◽  
Vol 1 (4) ◽  
pp. 365-376 ◽  
Author(s):  
Gonzalo Colmenarejo
Keyword(s):  
In Silico ◽  
Data Sets ◽  
Adme Prediction ◽  
In Silico Adme Prediction
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