Structural, QSAR, machine learning and molecular docking studies of 5-thiophen-2-yl pyrazole derivatives as potent and selective cannabinoid-1 receptor antagonists

2021 ◽  
Author(s):  
Riad Hanachi ◽  
Ridha Ben Said ◽  
Hamza Allal ◽  
Seyfeddine Rahali ◽  
Mohammed A. M. Alkhalifah ◽  
...  
Keyword(s):  
Machine Learning ◽  
Biological Activity ◽  
Molecular Docking ◽  
Theoretical Analysis ◽  
Structural Study ◽  
Docking Studies ◽  
Pyrazole Derivatives ◽  
Molecular Docking Studies ◽  
Cannabinoid 1 Receptor ◽  
Chemical Descriptors

We performed a structural study followed by a theoretical analysis of the chemical descriptors and the biological activity of a series of 5-thiophen-2-yl pyrazole derivatives as potent and selective Cannabinoid-1...

scholarly journals Synthesis, Antimalarial Activity, and Docking Studies of Monocarbonyl Analogues of Curcumin

2018 ◽  
Vol 29 (2) ◽  
pp. 92-96
Author(s):  
Amina S. Yusuf ◽  
Ibrahim Sada ◽  
Yusuf Hassan ◽  
Temitope O. Olomola ◽  
Christiana M. Adeyemi ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Antimalarial Activity ◽  
Docking Studies ◽  
Aryl Ring ◽  
Molecular Docking Studies ◽  
Plasmodium Parasite

Abstract The synthesis of five monocarbonyl analogues of curcumin is described. In vitro anti-malarial assay of the compounds was carried out and the effect of the substituents on the aryl ring has been described. The results show that all the five compounds exhibited some reasonable activity against the chloroquine-resistant plasmodium parasite. Molecular docking studies further confirmed the observed biological activity of the compounds.

scholarly journals DNA-binding, molecular docking studies and biological activity studies of ruthenium(ii) polypyridyl complexes

RSC Advances ◽  
2017 ◽  
Vol 7 (56) ◽  
pp. 34945-34958 ◽  
Author(s):  
Bing Tang ◽  
Fang Shen ◽  
Dan Wan ◽  
Bo-Hong Guo ◽  
Yang-Jie Wang ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Dna Binding ◽  
Western Blot ◽  
Blot Analysis ◽  
Western Blot Analysis ◽  
Docking Studies ◽  
Polypyridyl Complexes ◽  
Molecular Docking Studies

Three new Ru(ii) complexes [Ru(N–N)2(PTCP)]2+ were synthesized and characterized. The DNA-binding, in vitro cytotoxicity, apoptosis, autophagy and western blot analysis were investigated.

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