Synthesis, spectroscopic characterization, molecular docking studies and DFT calculation of novel Mannich base 1-((4-ethylpiperazin-1-yl)(2-hydroxyphenyl)methyl)naphthalen-2-ol

2021 ◽  
pp. 131164
Author(s):  
P. Vennila ◽  
G. Venkatesh ◽  
Yudibeth Sixto-López ◽  
C. Kamal ◽  
S. Kaya ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dft Calculation ◽  
Mannich Base ◽  
Spectroscopic Characterization ◽  
Docking Studies ◽  
Molecular Docking Studies

Synthesis, spectroscopic characterization, DFT calculations, and molecular docking studies of new unsymmetric bishydrazone derivatives

2021 ◽  
pp. 131224
Author(s):  
Yeliz Kaya ◽  
Ayşe Erçağ ◽  
Goncagül Serdaroğlu ◽  
Savaş Kaya ◽  
Igor Barden Grillo ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dft Calculations ◽  
Spectroscopic Characterization ◽  
Docking Studies ◽  
Molecular Docking Studies

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.

scholarly journals Synthesis, Cytotoxic Analysis, and Molecular Docking Studies of Tetrazole Derivatives via N-Mannich Base Condensation as Potential Antimicrobials

2020 ◽  
Vol Volume 14 ◽  
pp. 4477-4492
Author(s):  
Ashraf Atef Hatamleh ◽  
Dunia Al Farraj ◽  
Sarah Salah Al-Saif ◽  
SathishKumar Chidambaram ◽  
Surendrakumar Radhakrishnan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Mannich Base ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Tetrazole Derivatives

New DNA-Interactive Manganese(II) Complex of Amidooxime: Crystal Structure, DFT Calculation, Biophysical and Molecular Docking Studies

2020 ◽  
Vol 65 (11) ◽  
pp. 5393-5404
Author(s):  
Urmila Saha ◽  
Malay Dolai ◽  
Gopinatha Suresh Kumar ◽  
Ray J. Butcher ◽  
Saugata Konar
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Dft Calculation ◽  
Docking Studies ◽  
Molecular Docking Studies
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