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

Journal of the Iranian Chemical Society ◽

10.1007/s13738-021-02319-4 ◽

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

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Anticholinesterase activities of novel indole-based hydrazide-hydrazone derivatives: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131398 ◽

2021 ◽

pp. 131398

Author(s):

Ebru Didem Coşar ◽

Efe Doğukan Dincel ◽

Sedanur Demiray ◽

Ece Sucularlı ◽

Ezgi Tüccaroğlu ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Biological Evaluation ◽

Molecular Docking Study ◽

Design Synthesis ◽

Adme Prediction ◽

In Silico Adme Prediction

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

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2015.12.085 ◽

2016 ◽

Vol 26 (3) ◽

pp. 829-835 ◽

Cited By ~ 22

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

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Bacterial Peptide deformylase inhibition of cyano substituted biaryl analogs: Synthesis, in vitro biological evaluation, molecular docking study and in silico ADME prediction

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2016.05.051 ◽

2016 ◽

Vol 24 (16) ◽

pp. 3456-3463 ◽

Cited By ~ 8

Author(s):

Firoz A. Kalam Khan ◽

Rajendra H. Patil ◽

Devanand B. Shinde ◽

Jaiprakash N. Sangshetti

Keyword(s):

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Biological Evaluation ◽

Peptide Deformylase ◽

Molecular Docking Study ◽

Adme Prediction ◽

In Silico Adme Prediction

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

10.3390/ecmc-4-05627 ◽

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

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Design, biological evaluation, molecular docking study and in silico ADME prediction of novel imidazo[2,1-b]thiazole derivatives as a novel class of α-glucosidase inhibitors

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131260 ◽

2021 ◽

pp. 131260

Author(s):

Efe Doğukan Dincel ◽

Gozde Hasbal-Celikok ◽

Tugba Yilmaz-Ozden ◽

Nuray Ulusoy-Güzeldemirci

Keyword(s):

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Biological Evaluation ◽

Thiazole Derivatives ◽

Molecular Docking Study ◽

Adme Prediction ◽

Glucosidase Inhibitors ◽

In Silico Adme Prediction

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(E)-N-Aryl-2-oxo-2-(3,4,5-trimethoxyphenyl)acetohydrazonoyl cyanides as tubulin polymerization inhibitors: Structure-based bioisosterism design, synthesis, biological evaluation, molecular docking and in silico ADME prediction

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2018.09.004 ◽

2018 ◽

Vol 28 (20) ◽

pp. 3350-3355 ◽

Cited By ~ 3

Author(s):

Guangcheng Wang ◽

Zhiyun Peng ◽

Shanshan Peng ◽

Jie Qiu ◽

Yongjun Li ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Biological Evaluation ◽

Tubulin Polymerization ◽

Design Synthesis ◽

Adme Prediction ◽

In Silico Adme Prediction ◽

Tubulin Polymerization Inhibitors

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Antioxidant activity of novel imidazo[2,1-b]thiazole derivatives: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction

Bioorganic Chemistry ◽

10.1016/j.bioorg.2020.104220 ◽

2020 ◽

Vol 103 ◽

pp. 104220 ◽

Cited By ~ 1

Author(s):

Efe Doğukan Dincel ◽

Elif Gürsoy ◽

Tugba Yilmaz-Ozden ◽

Nuray Ulusoy-Güzeldemirci

Keyword(s):

Antioxidant Activity ◽

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Biological Evaluation ◽

Thiazole Derivatives ◽

Molecular Docking Study ◽

Design Synthesis ◽

Adme Prediction ◽

In Silico Adme Prediction

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

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2014.12.063 ◽

2015 ◽

Vol 25 (4) ◽

pp. 874-880 ◽

Cited By ~ 15

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

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Molecular Docking, 3D-QSAR Studies, and In Silico ADME Prediction of p-Aminosalicylic Acid Derivatives as Neuraminidase Inhibitors

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2011.01179.x ◽

2011 ◽

Vol 78 (4) ◽

pp. 709-717 ◽

Cited By ~ 23

Author(s):

Jie Zhang ◽

Yuanyuan Shan ◽

Xiaoyan Pan ◽

Chen Wang ◽

Wenfang Xu ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

3D Qsar ◽

Neuraminidase Inhibitors ◽

Aminosalicylic Acid ◽

Qsar Studies ◽

Adme Prediction ◽

In Silico Adme Prediction

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In Silico ADME Prediction: Data Sets and Models

Current Computer - Aided Drug Design ◽

10.2174/157340905774330318 ◽

2005 ◽

Vol 1 (4) ◽

pp. 365-376 ◽

Cited By ~ 6

Author(s):

Gonzalo Colmenarejo

Keyword(s):

In Silico ◽

Data Sets ◽

Adme Prediction ◽

In Silico Adme Prediction

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