DFT-QSAR and Molecular Docking Studies on 1,2,3-Triazole-Dithiocarbamate Hybrids as Potential Anticancer Agents

2019 ◽  
Vol 20 (4) ◽  
pp. 1-10
Author(s):  
Ehimen Annastasia Erazua ◽  
Abel Kolawole Oyebamiji ◽  
Babatunde Benjamin Adeleke
Keyword(s):  
Molecular Docking ◽  
Anticancer Agents ◽  
Docking Studies ◽  
Molecular Docking Studies

Synthesis, biological evaluation and molecular docking studies of 1,3-benzoxazine derivatives as potential anticancer agents

2013 ◽  
Vol 22 (11) ◽  
pp. 5256-5266 ◽  
Author(s):  
Vikas Garg ◽  
Ankit Kumar ◽  
Anurag Chaudhary ◽  
Saurabh Agrawal ◽  
Praveen Tomar ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Agents ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Docking Studies

scholarly journals Synthesis, biological evaluation and molecular docking studies of new amides of 4-chlorothiocolchicine as anticancer agents

2020 ◽  
Vol 97 ◽  
pp. 103664 ◽  
Author(s):  
Greta Klejborowska ◽  
Alicja Urbaniak ◽  
Ewa Maj ◽  
Jordane Preto ◽  
Mahshad Moshari ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Agents ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Docking Studies

Synthesis, biological evaluation and molecular docking studies of novel 1-(4,5-dihydro-1H-pyrazol-1-yl)ethanone-containing 1-methylindol derivatives as potential tubulin assembling inhibitors

RSC Advances ◽  
2016 ◽  
Vol 6 (36) ◽  
pp. 30412-30424 ◽  
Author(s):  
Meng-Ru Yang ◽  
Ya-Juan Qin ◽  
Chen Chen ◽  
Ya-Liang Zhang ◽  
Bo-Yan Li ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Agents ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Docking Studies

A series of novel compounds (6a–6v) containing 1-methylindol and 1-(4,5-dihydro-1H-pyrazol-1-yl)ethanone skeleton were designed, synthesized and evaluated as potential anticancer agents.

Microwave Synthesis of Coumarinyl Substituted Pyridine Derivatives as Potent Anticancer Agents and Molecular Docking Studies

2017 ◽  
Vol 2 (18) ◽  
pp. 5234-5242 ◽  
Author(s):  
Bahubali M. Chougala ◽  
Samundeeswari S ◽  
Megharaja Holiyachi ◽  
Nirmala S. Naik ◽  
Lokesh A. Shastri ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Agents ◽  
Microwave Synthesis ◽  
Docking Studies ◽  
Pyridine Derivatives ◽  
Molecular Docking Studies

scholarly journals Synthesis, Anticancer and Molecular Docking Studies of N-(1H-benzimidazol-2-yl-carbamothioyl)benzamide Analogues

2020 ◽  
pp. 204-212 ◽  
Author(s):  
Priyanka P. Rode ◽  
Akshay R. Yadav ◽  
Ankita V. Chitruk ◽  
Shrinivas K. Mohite ◽  
Chandrakant S. Magdum
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Anticancer Agents ◽  
Treatment Options ◽  
Specific Treatment ◽  
Docking Studies ◽  
Cancer Resistance ◽  
Cancer Disease ◽  
Molecular Docking Studies

A series of novel N-(1H-benzimidazole-2-yl-carbamothioyl)benzamide derivatives were synthesized under microwave irradiation and evaluated for anticancer activity. The synthesized compounds were characterized by IR, 1H-NMR, and mass spectral data. Complexity associated with cancer disease and prevalence of diversified cell populations vindicates highly specific treatment options for treatment of cancer. Resistance to these anticancer agents has posed a great hindrance in successful treatment of cancer. Pondering this ongoing situation, it was speculated to develop novel compounds targeting cancer. All the newly synthesized compounds 3a-f were further evaluated for anticancer activity against MCF-7 cell lines using MTT assay. Molecular docking studies were performed using VLife MDS 4.3 software. The compounds 3c exhibited good docking scores of -60.37. The anticancer and docking results highlight the fact that the synthesized compounds 3c could be considered as possible hit as therapeutic agents. A significant correlation was observed between the in silico and the in vitro studies.

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