Biological Activity and Molecular Docking Studies of Sulfasalazine

2014 ◽  
Vol 03 (10) ◽  
pp. 16759-16763
Author(s):  
URMILA PATEL ◽  
SANJAY TAILOR ◽  
RAHUL DUBEY, ◽  
KINJAL PATEL
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies

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.

scholarly journals Recent development of leucyl-tRNA synthetase inhibitors as antimicrobial agents

MedChemComm ◽  
2019 ◽  
Vol 10 (8) ◽  
pp. 1329-1341 ◽  
Author(s):  
Panpan Zhang ◽  
Shutao Ma
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Antimicrobial Agents ◽  
Docking Studies ◽  
Trna Synthetase ◽  
Molecular Docking Studies

This review summarizes the recent development of LeuRS inhibitors, focusing on biological activity, SARs, molecular docking studies and applications.

3D-QSAR and Molecular Docking Studies on Design Anti-Prostate Cancer Curcumin Analogues

2020 ◽  
Vol 16 (3) ◽  
pp. 245-256 ◽  
Author(s):  
Xi Meng ◽  
Lianhua Cui ◽  
Fucheng Song ◽  
Mingyuan Luan ◽  
Junjie Ji ◽  
...  
Keyword(s):  
Prostate Cancer ◽  
Biological Activity ◽  
Molecular Docking ◽  
Correlation Coefficient ◽  
Structure Activity Relationship ◽  
Docking Studies ◽  
Activity Relationship ◽  
Molecular Docking Studies ◽  
Curcumin Analogs ◽  
Structure Activity

Background: Prostate cancer is one of the most common tumors in the world and the fifth leading cause of male cancer death. Although the treatment of localized androgen-dependent prostate cancer has been successful, the efficacy of androgen-independent metastatic disease is limited. Curcumin, a natural product, has been found to inhibit the proliferation of prostate cancer cells. Objective: To design curcumin analogs with higher biological activity and lower toxicity and side effects for the treatment of prostate cancer. Methods: In this study, the three dimensional-quantitative structure activity relationship (3DQSAR) and molecular docking studies were performed on 34 curcumin analogs as anti-prostate cancer compounds. We introduced OSIRIS Property Explorer to predict drug-related properties of newly designed compounds. Results: The optimum CoMSIA model exhibited statistically significant results: the cross-validated correlation coefficient q2 is 0.540 and non-cross-validated R2 value is 0.984. The external predictive correlation coefficient Rext 2 is 0.792. The information of structure-activity relationship can be obtained from the CoMSIA contour maps. In addition, the molecular docking study of the compounds for 3ZK6 as the protein target revealed important interactions between active compounds and amino acids. Conclusion: Compound 28i may be a new type of anti-prostate cancer drug with higher biological activity and more promising development.

scholarly journals Recent development of lipoxygenase inhibitors as anti-inflammatory agents

MedChemComm ◽  
2018 ◽  
Vol 9 (2) ◽  
pp. 212-225 ◽  
Author(s):  
Chaoyu Hu ◽  
Shutao Ma
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Docking Studies ◽  
Lipoxygenase Inhibitors ◽  
Molecular Docking Studies ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Activity Structure ◽  
Recent Developments ◽  
Lox Inhibitors

This review summarizes recent developments of LOX inhibitors. It also contains an introduction to their structures, biological activity, structure–activity relationships and molecular docking studies.

New selective A2A agonists and A3 antagonists for human adenosine receptors: synthesis, biological activity and molecular docking studies

MedChemComm ◽  
2015 ◽  
Vol 6 (6) ◽  
pp. 1178-1185 ◽  
Author(s):  
Anna Rodríguez ◽  
Angel Guerrero ◽  
Hugo Gutierrez-de-Terán ◽  
David Rodríguez ◽  
José Brea ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Adenosine Receptors ◽  
Docking Studies ◽  
Pharmacological Characterization ◽  
Molecular Docking Studies ◽  
Adenosine Derivatives

Synthesis and pharmacological characterization of a new series of adenosine derivatives on the four human adenosine receptors are reported.

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