Molecular Docking Study, Green Synthesis and Pharmacological Evaluation of 1,3,4-thiadiazole Derivatives as Potential Antiepileptic Agents

2013 ◽  
Vol 13 (14) ◽  
pp. 2076-2081 ◽  
Author(s):  
Biswa Sahoo ◽  
S. Dinda ◽  
B. Kumar ◽  
J. Panda ◽  
Pathik Brahmkshatriya
Keyword(s):  
Molecular Docking ◽  
Green Synthesis ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Antiepileptic Agents ◽  
Pharmacological Evaluation ◽  
Thiadiazole Derivatives

Nano Sb2O3 catalyzed green synthesis, cytotoxic activity, and molecular docking study of novel α-aminophosphonates

2019 ◽  
Vol 28 (4) ◽  
pp. 528-544 ◽  
Author(s):  
Sreelakshmi Poola ◽  
Maheshwara Reddy Nadiveedhi ◽  
Santhisudha Sarva ◽  
Mohan Gundluru ◽  
Saichaithanya Nagaripati ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Green Synthesis ◽  
Cytotoxic Activity ◽  
Docking Study ◽  
Molecular Docking Study

Synthesis of oxadiazole-coupled-thiadiazole derivatives as a potent β-glucuronidase inhibitors and their molecular docking study

2019 ◽  
Vol 27 (14) ◽  
pp. 3145-3155 ◽  
Author(s):  
Muhammad Taha ◽  
Syahrul Imran ◽  
Munther Alomari ◽  
Fazal Rahim ◽  
Abdul Wadood ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Thiadiazole Derivatives

scholarly journals Synthesis, Molecular Docking Screening and Anti-Proliferative Potency Evaluation of Some New Imidazo[2,1-b]Thiazole Linked Thiadiazole Conjugates

Molecules ◽  
2020 ◽  
Vol 25 (21) ◽  
pp. 4997
Author(s):  
Huda R. M. Rashdan ◽  
Aboubakr H. Abdelmonsef ◽  
Ihsan A. Shehadi ◽  
Sobhi M. Gomha ◽  
Abdel Mohsen M. Soliman ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Cell Lines ◽  
Cancer Cell ◽  
Docking Study ◽  
Cancer Cell Lines ◽  
Hepatic Cancer ◽  
Molecular Docking Study ◽  
Drug Candidates ◽  
Ft Ir ◽  
Thiadiazole Derivatives

Background: Imidazo[2,1-b]thiazole scaffolds were reported to possess various pharmaceutical activities. Results: The novel compound named methyl-2-(1-(3-methyl-6-(p-tolyl)imidazo[2,1-b]thiazol-2-yl)ethylidene)hydrazine-1-carbodithioate 3 acted as a predecessor molecule for the synthesis of new thiadiazole derivatives incorporating imidazo[2,1-b]thiazole moiety. The reaction of 3 with the appropriate hydrazonoyl halide derivatives 4a–j and 7–9 had produced the respective 1,3,4-thiadiazole derivatives 6a–j and 10–12. The chemical composition of all the newly synthesized derivatives were confirmed by their microanalytical and spectral data (FT-IR, mass spectrometry, 1H-NMR and 13C-NMR). All the produced novel compounds were screened for their anti-proliferative efficacy on hepatic cancer cell lines (HepG2). In addition, a computational molecular docking study was carried out to determine the ability of the synthesized thiadiazole molecules to interact with active site of the target Glypican-3 protein (GPC-3). Moreover, the physiochemical properties of the synthesized compounds were derived to determine the viability of the compounds as drug candidates for hepatic cancer. Conclusion: All the tested compounds had exhibited good anti-proliferative efficacy against hepatic cancer cell lines. In addition, the molecular docking results showed strong binding interactions of the synthesized compounds with the target GPC-3 protein with lower energy scores. Thus, such novel compounds may act as promising candidates as drugs against hepatocellular carcinoma.

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