New 1,2,3-triazole-linked tetrahydrobenzo[b]pyran derivatives: Facile synthesis, biological evaluation and molecular docking study

2019 ◽  
Vol 45 (10) ◽  
pp. 5159-5182 ◽  
Author(s):  
Smita P. Khare ◽  
Tejshri R. Deshmukh ◽  
Satish V. Akolkar ◽  
Jaiprakash N. Sangshetti ◽  
Vijay M. Khedkar ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Study ◽  
Biological Evaluation ◽  
Facile Synthesis ◽  
Molecular Docking Study

Facile synthesis of new N-sulfonamidyl-4-thiazolidinone derivatives and their biological evaluation

2016 ◽  
Vol 40 (4) ◽  
pp. 3047-3058 ◽  
Author(s):  
Dnyaneshwar D. Subhedar ◽  
Mubarak H. Shaikh ◽  
Firoz A. Kalam Khan ◽  
Jaiprakash N. Sangshetti ◽  
Vijay M. Khedkar ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Molecular Docking ◽  
Antioxidant Properties ◽  
Docking Study ◽  
Biological Evaluation ◽  
Facile Synthesis ◽  
Molecular Docking Study ◽  
One Pot

A one-pot three-component facile synthesis of N-sulfonamidyl-4-thiazolidinone derivatives using a [HDBU][HSO4] reusable ionic liquid was carried out, together with an investigation into their antifungal and antioxidant properties and a molecular docking study.

Structure-Based Design, Synthesis, Biological Evaluation and Molecular Docking Study of 4-Hydroxy-N'-methylenebenzohydrazide Derivatives Acting as Tyrosinase Inhibitors with Potentiate Anti-Melanogenesis Activities

2020 ◽  
Vol 16 (7) ◽  
pp. 892-902 ◽  
Author(s):  
Aida Iraji ◽  
Mahsima Khoshneviszadeh ◽  
Pegah Bakhshizadeh ◽  
Najmeh Edraki ◽  
Mehdi Khoshneviszadeh
Keyword(s):  
Molecular Docking ◽  
Active Site ◽  
Competitive Inhibition ◽  
Docking Study ◽  
Biological Evaluation ◽  
Primary Response ◽  
Ratio Method ◽  
Molecular Docking Study ◽  
Metal Chelating

Background: Melanogenesis is a process of melanin synthesis, which is a primary response for the pigmentation of human skin. Tyrosinase is a key enzyme, which catalyzes a ratelimiting step of the melanin formation. Natural products have shown potent inhibitors, but some of these possess toxicity. Numerous synthetic inhibitors have been developed in recent years may lead to the potent anti– tyrosinase agents. Objective: A number of 4-hydroxy-N'-methylenebenzohydrazide analogues with related structure to chalcone and tyrosine were constructed with various substituents at the benzyl ring of the molecule and evaluate as a tyrosinase inhibitor. In addition, computational analysis and metal chelating potential have been evaluated. Methods: Design and synthesized compounds were evaluated for activity against mushroom tyrosinase. The metal chelating capacity of the potent compound was examined using the mole ratio method. Molecular docking of the synthesized compounds was carried out into the tyrosine active site. Results: Novel 4-hydroxy-N'-methylenebenzohydrazide derivatives were synthesized. The two compounds 4c and 4g showed an IC50 near the positive control, led to a drastic inhibition of tyrosinase. Confirming in vitro results were performed via the molecular docking analysis demonstrating hydrogen bound interactions of potent compounds with histatidine-Cu+2 residues with in the active site. Kinetic study of compound 4g showed competitive inhibition towards tyrosinase. Metal chelating assay indicates the mole fraction of 1:2 stoichiometry of the 4g-Cu2+ complex. Conclusion: The findings in the present study demonstrate that 4-Hydroxy-N'- methylenebenzohydrazide scaffold could be regarded as a bioactive core inhibitor of tyrosinase and can be used as an inspiration for further studies in this area.

scholarly journals Synthesis, Biological Evaluation and Molecular Docking Study of Hydrazone-Containing Pyridinium Salts as Cholinesterase Inhibitors

2016 ◽  
Vol 64 (9) ◽  
pp. 1281-1287 ◽  
Author(s):  
Sulunay Parlar ◽  
Gulsah Bayraktar ◽  
Ayse Hande Tarikogullari ◽  
Vildan Alptüzün ◽  
Ercin Erciyas
Keyword(s):  
Molecular Docking ◽  
Cholinesterase Inhibitors ◽  
Docking Study ◽  
Biological Evaluation ◽  
Pyridinium Salts ◽  
Molecular Docking Study

Synthesis, Biological Evaluation of ortho-Carboxamidostilbenes as Potential Inhibitors of Hyperglycemic Enzymes, and Molecular Docking Study

2021 ◽  
pp. 131007
Author(s):  
Norhadi Mohamad ◽  
Phua Yoong Hui ◽  
Mohamad Hafizi Abu Bakar ◽  
Mohammad Tasyriq Che Omar ◽  
Habibah A. Wahab ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Study ◽  
Biological Evaluation ◽  
Molecular Docking Study ◽  
Potential Inhibitors

Biological evaluation of selected 3,4-dihydro-2(1H )-quinoxalinones and 3,4-dihydro-1,4-benzoxazin-2-ones: Molecular docking study

2018 ◽  
Vol 351 (5) ◽  
pp. 1700308 ◽  
Author(s):  
Jelena Petronijević ◽  
Nenad Janković ◽  
Tatjana P. Stanojković ◽  
Nenad Joksimović ◽  
Nađa Đ. Grozdanić ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Study ◽  
Biological Evaluation ◽  
Molecular Docking Study
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