Evaluation of quercetin omega‐6 and ‐9 esters on activity and structure of mushroom tyrosinase: Spectroscopic and molecular docking studies

2021 ◽  
Author(s):  
Morteza Vaezi
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Mushroom Tyrosinase ◽  
Molecular Docking Studies ◽  
Omega 6

scholarly journals Carvacrol derivatives as mushroom tyrosinase inhibitors; synthesis, kinetics mechanism and molecular docking studies

PLoS ONE ◽  
2017 ◽  
Vol 12 (5) ◽  
pp. e0178069 ◽  
Author(s):  
Zaman Ashraf ◽  
Muhammad Rafiq ◽  
Humaira Nadeem ◽  
Mubashir Hassan ◽  
Samina Afzal ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Mushroom Tyrosinase ◽  
Molecular Docking Studies ◽  
Tyrosinase Inhibitors

Molecular Docking Studies on Gingerol Analogues toward Mushroom Tyrosinase

2020 ◽  
Vol 42 (2) ◽  
pp. 214-214
Author(s):  
Sabrina Benouis Sabrina Benouis ◽  
Fouad Ferkous Fouad Ferkous ◽  
Khairedine Kraim Khairedine Kraim ◽  
Ahmed Allali Ahmed Allali ◽  
Youcef Saihi Youcef Saihi
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Negative Energy ◽  
Mushroom Tyrosinase ◽  
Molecular Docking Studies ◽  
Molegro Virtual Docker ◽  
Zinc Database ◽  
Starting Point ◽  
Tyrosinase Enzyme ◽  
Active Site Region

The gingerol presents the starting point of our work which aims to discover new inhibitors of the tyrosinase enzyme. Therefore, we have studied the activity of gingerol derivatives as inhibitors against mushroom tyrosinase based on the molecular docking. Molecular docking studies were performed on a series of gingerol analogues retrieved from Zinc database (with 70% as similarity threshold). The gingerol analogues were docked within the active site region of mushroom tyrosinase (PDB: 2Y9X) using Molegro Virtual Docker V.5.0. The results of molecular docking studies revealed that some analogues of gingerol have higher Moldock score (in terms of negative energy) than gingerol and the experimentally known inhibitors of tyrosinase, and showed favourable molecular interactions exhibiting common molecular interaction with Ala323, Met280 and Asn260 residues of tyrosinase. Furthermore, the top docked compounds used in this work do not violate the Lipinsky rule of five.

Synthesis, molecular docking studies of coumarinyl-pyrazolinyl substituted thiazoles as non-competitive inhibitors of mushroom tyrosinase

2017 ◽  
Vol 74 ◽  
pp. 187-196 ◽  
Author(s):  
Aamer Saeed ◽  
Parvez Ali Mahesar ◽  
Pervaiz Ali Channar ◽  
Qamar Abbas ◽  
Fayaz Ali Larik ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Mushroom Tyrosinase ◽  
Molecular Docking Studies ◽  
Competitive Inhibitors
Sign in / Sign up

Export Citation Format

Share Document