Synthesis, biological evaluation, and molecular docking studies of novel 1,3,4-oxadiazole derivatives possessing benzotriazole moiety as FAK inhibitors with anticancer activity

2013 ◽  
Vol 21 (13) ◽  
pp. 3723-3729 ◽  
Author(s):  
Shuai Zhang ◽  
Yin Luo ◽  
Liang-Qiang He ◽  
Zhi-Jun Liu ◽  
Ai-Qin Jiang ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Docking Studies ◽  
Oxadiazole Derivatives

scholarly journals Microwave-Assisted Synthesis, Molecular Docking Studies and Biological Evaluation of Benzothiazole Containing Novel Indole Derivatives

2021 ◽  
Vol 33 (11) ◽  
pp. 2755-2761
Author(s):  
Shaheen Sultana ◽  
P. Pandian ◽  
B. Rajkamal
Keyword(s):  
Molecular Docking ◽  
Reaction Mechanism ◽  
Anticancer Activity ◽  
Mannich Base ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Indole Derivatives ◽  
Standard Drug ◽  
Molecular Docking Studies ◽  
Microwave Assisted

The synthesis of novel indole derivatives 4a-o using a microwave assisted method via Schiff’s base and Mannich base reaction mechanism was described. Compounds 3a-c were synthesized via reaction of 2-amino benzothiazole with substituted isatin by Schiff base reaction mechanism. Also, indole derivatives 4a-o were synthesized via reaction of compounds 3a-c with substituted benzaldehydes by Mannich base reaction. The biological potentials of the newly synthesized indole derivatives were evaluated for their anthelmintic activity and in vitro anticancer activity by MTT assay. The anticancer activity results suggested that indole derivatives 4c-o have activity against MCF-7 and SKOV3 cells in comparison with doxorubicin as standard drug. Furthermore, the molecular docking studies of these novel derivatives of indole showed good agreement with the biological results when their binding pattern and affinity towards the active site of EGFR was also investigated.

Structural and Molecular Docking Studies of 4-Benzyl-3-[(1-methylpyrrol- 2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one with Anticancer Activity

2013 ◽  
Vol 9 (3) ◽  
pp. 313-328 ◽  
Author(s):  
Agnieszka A. Kaczor ◽  
Monika Pitucha ◽  
Zbigniew Karczmarzyk ◽  
Waldemar Wysocki ◽  
Jolanta Rzymowska ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
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
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