Phosphonic and Phosphinic Acid Derivatives as Novel Tyrosinase Inhibitors: Kinetic Studies and Molecular Docking

2019 ◽  
Vol 16 (7) ◽  
Author(s):  
Ewa Wolińska ◽  
Katarzyna Hałdys ◽  
Jerzy Góra ◽  
Tomasz K. Olszewski ◽  
Bogdan Boduszek ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Phosphinic Acid ◽  
Kinetic Studies ◽  
Tyrosinase Inhibitors

Synthesis, molecular docking and kinetic studies of novel quinolinyl based acyl thioureas as mushroom tyrosinase inhibitors and free radical scavengers

2019 ◽  
Vol 90 ◽  
pp. 103063 ◽  
Author(s):  
Muhammad Naeem Mustafa ◽  
Aamer Saeed ◽  
Pervaiz Ali Channar ◽  
Fayaz Ali Larik ◽  
Muhammad Zain-ul abideen ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Free Radical ◽  
Kinetic Studies ◽  
Free Radical Scavengers ◽  
Mushroom Tyrosinase ◽  
Radical Scavengers ◽  
Tyrosinase Inhibitors

Evaluation of Cytotoxic and Tyrosinase Inhibitory Activities of 2-phenoxy(thiomethyl) pyridotriazolopyrimidines: In Vitro and Molecular Docking Studies

2020 ◽  
Vol 20 (14) ◽  
pp. 1714-1721
Author(s):  
Hatem A. Abuelizz ◽  
El Hassane Anouar ◽  
Mohamed Marzouk ◽  
Mizaton H. Hasan ◽  
Siti R. Saleh ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Kojic Acid ◽  
Docking Studies ◽  
Breast Adenocarcinoma ◽  
Amino Acid Residues ◽  
New Class ◽  
Structure Activity ◽  
Tyrosinase Inhibitors ◽  
Mcf 7

Background: The use of tyrosinase has confirmed to be the best means of recognizing safe, effective, and potent tyrosinase inhibitors for whitening skin. Twenty-four 2-phenoxy(thiomethyl)pyridotriazolopyrimidines were synthesized and characterized in our previous studies. Objective: The present work aimed to evaluate their cytotoxicity against HepG2 (hepatocellular carcinoma), A549 (pulmonary adenocarcinoma), MCF-7 (breast adenocarcinoma) and WRL 68 (embryonic liver) cell lines. Methods: MTT assay was employed to investigate the cytotoxicity, and a tyrosinase inhibitor screening kit was used to evaluate the Tyrosinase (TYR) inhibitory activity of the targets. Results: The tested compounds exhibited no considerable cytotoxicity, and nine of them were selected for a tyrosinase inhibitory test. Compounds 2b, 2m, and 5a showed good inhibitory percentages against TYR compared to that of kojic acid (reference substance). Molecular docking was performed to rationalize the Structure-Activity Relationship (SAR) of the target pyridotriazolopyrimidines and analyze the binding between the docked-selected compounds and the amino acid residues in the active site of tyrosinase. Conclusion: The target pyridotriazolopyrimidines were identified as a new class of tyrosinase inhibitors.

scholarly journals Flavones as tyrosinase inhibitors: kinetic studies in vitro and in silico

2020 ◽  
Vol 31 (3) ◽  
pp. 314-321 ◽  
Author(s):  
Randolph R.J. Arroo ◽  
Suat Sari ◽  
Burak Barut ◽  
Arzu Özel ◽  
Ketan C. Ruparelia ◽  
...  
Keyword(s):  
In Silico ◽  
Kinetic Studies ◽  
Tyrosinase Inhibitors

Facile synthesis of new quinazolinone benzamides as potent tyrosinase inhibitors: Comparative spectroscopic and molecular docking studies

2019 ◽  
Vol 1198 ◽  
pp. 126915 ◽  
Author(s):  
Prasad G. Mahajan ◽  
Nilam C. Dige ◽  
Balasaheb D. Vanjare ◽  
Hussain Raza ◽  
Mubashir Hassan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Facile Synthesis ◽  
Molecular Docking Studies ◽  
Tyrosinase Inhibitors

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

DIPEAc promoted one-pot synthesis of dihydropyrido[2,3-d:6,5-d′]dipyrimidinetetraone and pyrimido[4,5-d]pyrimidine derivatives as potent tyrosinase inhibitors and anticancer agents: in vitro screening, molecular docking and ADMET predictions

2018 ◽  
Vol 42 (23) ◽  
pp. 18621-18632 ◽  
Author(s):  
Manisha R. Bhosle ◽  
Lalit D. Khillare ◽  
Jyotirling R. Mali ◽  
Aniket P. Sarkate ◽  
Deepak K. Lokwani ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Anticancer Agents ◽  
Oral Drug ◽  
In Vitro Screening ◽  
Pyrimidine Derivatives ◽  
Rapid Synthesis ◽  
One Pot ◽  
Tyrosinase Inhibitors

Efficient and rapid synthesis of 18 tyrosinase inhibitors with good to moderate anticancer activity and good oral drug like properties.

scholarly journals Molecular Docking and Reaction Kinetic Studies of Chrysin Binding to Serum Albumin

2014 ◽  
Vol 9 (2) ◽  
pp. 1934578X1400900 ◽  
Author(s):  
Bingli Jiang ◽  
Anran Zhao ◽  
Jianhua Miao ◽  
Pengfei Chang ◽  
Hailin Chen ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Serum Albumin ◽  
Reaction Kinetic ◽  
Reaction Order ◽  
Kinetic Studies ◽  
Cd Spectroscopy ◽  
Reaction Enthalpy ◽  
Binding Properties ◽  
Hydrophobic Force ◽  
Physiological Conditions

The binding properties of chrysin with serum albumin (SA) were investigated under physiological conditions by calorimetry, circular dichroism (CD) spectroscopy, and molecular modeling. Based on the thermodynamic data, molar reaction enthalpy, reaction order ( n) and the rate constant ( k) were calculated. The results of CD spectroscopy showed that chrysin could bind to SA and the conformation of SA did not have any high-ordered structural change. Computational mapping revealed chrysin binding to the subdomain IB in SA. The chrysin-serum albumin complex was stabilized by hydrophobic force and hydrogen bonding and the reaction was a spontaneous process.

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