β-CD-catalyzed multicomponent domino reaction: synthesis, characterization, in silico molecular docking and biological evaluation of pyrano[2,3-d]-pyrimidinone derivatives

2018 ◽  
Vol 44 (10) ◽  
pp. 6119-6136 ◽  
Author(s):  
Asha V. Chate ◽  
Ravindra M. Dongre ◽  
Mahadeo K. Khaire ◽  
Giribala M. Bondle ◽  
Jaiprakash N. Sangshetti ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Biological Evaluation ◽  
Domino Reaction ◽  
Reaction Synthesis ◽  
In Silico Molecular Docking

scholarly journals Synthesis, biological evaluation and in silico molecular docking of novel 1-hydroxy-naphthyl substituted heterocycles

2018 ◽  
Vol 26 (6) ◽  
pp. 852-859 ◽  
Author(s):  
El-Sayed I. El-Desoky ◽  
Eman M. Keshk ◽  
Aya A. El-Sawi ◽  
Mohamed A. Abozeid ◽  
Laila A. Abouzeid ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Biological Evaluation ◽  
In Silico Molecular Docking

Synthesis, characterization, in silico molecular docking study and biological evaluation of a 5-(phenylthio) pyrazole based polyhydroquinoline core moiety

2017 ◽  
Vol 41 (19) ◽  
pp. 10686-10694 ◽  
Author(s):  
Nirav H. Sapariya ◽  
Beena K. Vaghasiya ◽  
Rahul P. Thummar ◽  
Ronak D. Kamani ◽  
Kirit H. Patel ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Combinatorial Library ◽  
Docking Study ◽  
Biological Evaluation ◽  
Molecular Docking Study ◽  
Cyclocondensation Reaction ◽  
In Silico Molecular Docking

A combinatorial library of polyhydroquinoline scaffolds is successfully attempted by multicomponent cyclocondensation reaction.

scholarly journals A Four-Component Domino Reaction: An Eco-Compatible and Highly Efficient Construction of 1,8-Naphthyridine Derivatives, Their In Silico Molecular Docking, Drug Likeness, ADME, and Toxicity Studies

2021 ◽  
Vol 2021 ◽  
pp. 1-16
Author(s):  
Ankita Garg ◽  
Aschalew Tadesse ◽  
Rajalakshmanan Eswaramoorthy
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Environmental Parameters ◽  
Direct Access ◽  
Domino Reaction ◽  
One Pot ◽  
Synthetic Strategy ◽  
Efficient Construction ◽  
High Yields ◽  
In Silico Molecular Docking

A multicomponent domino reaction of enaminone, malononitrile, and o-phthalaldehyde has been established, providing direct access to novel highly functionalized pentacyclic cyclopenta [b] indeno [1, 2, 3-de] [1,8] naphthyridine derivatives. The simplicity of execution, readily available substrates, high yields, excellent functional group tolerance, scalability, and good scores of environmental parameters make this synthetic strategy more sustainable and worthy of further attention. This one-pot transformation, which involved multiple steps and did not require the use of a catalyst, constructed four new C-C bonds, two new C-N bonds, and three new rings, with efficient use of all reactants. Furthermore, we performed in silico molecular docking analysis for prediction of anticancer (against human topoisomerase IIβ protein) and antimicrobial (against E.coli. DNA gyrase B protein) activities. Drug likeness and ADMET studies were also predicted. Overall investigation indicates that compound 6i may serve as a candidate that could be developed as potential anticancer and antimicrobial agent among all.

Biological evaluation and in silico molecular docking study of a new series of thiazol-2-yl-hydrazone conglomerates

2018 ◽  
Vol 44 (4) ◽  
pp. 2779-2805 ◽  
Author(s):  
Mahima Bhat ◽  
P. M. Gurubasavaraja Swamy ◽  
Boja Poojary ◽  
B. C. Revanasiddappa ◽  
M. Vijay Kumar ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Docking Study ◽  
Biological Evaluation ◽  
Molecular Docking Study ◽  
In Silico Molecular Docking
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