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

Coumaric acid derivatives as tyrosinase inhibitors: Efficacy studies through in silico, in vitro and ex vivo approaches

2020 ◽  
Vol 103 ◽  
pp. 104108 ◽  
Author(s):  
Marina Themoteo Varela ◽  
Márcio Ferrarini ◽  
Vitória Gallo Mercaldi ◽  
Bianca da Silva Sufi ◽  
Giovana Padovani ◽  
...  
Keyword(s):  
In Silico ◽  
Ex Vivo ◽  
Coumaric Acid ◽  
Tyrosinase Inhibitors ◽  
Efficacy Studies

Structure-based designing and synthesis of 2-phenylchromone derivatives as potent tyrosinase inhibitors: In vitro and in silico studies

2021 ◽  
Vol 35 ◽  
pp. 116057
Author(s):  
Jamshaid Ashraf ◽  
Ehsan Ullah Mughal ◽  
Reem I. Alsantali ◽  
Rami J. Obaid ◽  
Amina Sadiq ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Studies ◽  
Tyrosinase Inhibitors

Syntheses of 4,6-dihydroxypyrimidine diones, their urease inhibition, in vitro, in silico, and kinetic studies

2017 ◽  
Vol 75 ◽  
pp. 317-331 ◽  
Author(s):  
Munira Taj Muhammad ◽  
Khalid Mohammed Khan ◽  
Arshia ◽  
Ajmal Khan ◽  
Fiza Arshad ◽  
...  
Keyword(s):  
In Silico ◽  
Kinetic Studies ◽  
Urease Inhibition

scholarly journals In vitro and in silico insights into tyrosinase inhibitors with (E)-benzylidene-1-indanone derivatives

2019 ◽  
Vol 17 ◽  
pp. 1255-1264 ◽  
Author(s):  
Hee Jin Jung ◽  
Sang Gyun Noh ◽  
Yujin Park ◽  
Dongwan Kang ◽  
Pusoon Chun ◽  
...  
Keyword(s):  
In Silico ◽  
Tyrosinase Inhibitors

scholarly journals Evaluation of the Novel Synthetic Tyrosinase Inhibitor (Z)-3-(3-bromo-4-hydroxybenzylidene)thiochroman-4-one (MHY1498) In Vitro and In Silico

Molecules ◽  
2018 ◽  
Vol 23 (12) ◽  
pp. 3307 ◽  
Author(s):  
EunJin Bang ◽  
Sang-Gyun Noh ◽  
Sugyeong Ha ◽  
Hee Jung ◽  
Dae Kim ◽  
...  
Keyword(s):  
In Silico ◽  
Docking Simulation ◽  
Positive Control ◽  
Tyrosinase Activity ◽  
Inhibition Mechanism ◽  
The Novel ◽  
Melanin Synthesis ◽  
Chemical Structures ◽  
Tyrosinase Inhibitors

Tyrosinase is a key enzyme in melanin synthesis, catalyzing the initial rate-limiting steps of melanin synthesis. Abnormal and excessive melanin synthesis is the primary cause of serious skin disorders including melasma, senile lentigo, freckles, and age spots. In attempts to find potent and safe tyrosinase inhibitors, we designed and synthesized a novel compound, (Z)-3-(3-bromo-4-hydroxybenzylidene)thiochroman-4-one (MHY1498), and evaluated its tyrosinase inhibitory activity in vitro and in silico. The chemical structures of (Z)-3-benzylidenethiochroman-4-one analogues, including the novel compound MHY1498, were rationally designed and synthesized as hybrid structures of reported potent tyrosinase inhibitors, which were confirmed both in vitro and in vivo: (Z)-5-(substituted benzylidene)thiazolidine-2,4-diones (Compound A) and 2-(substituted phenyl)benzo[d]thiazoles (Compound B). During screening, MHY1498 showed a strong dose-dependent inhibitory effect on mushroom tyrosinase. The IC50 value of MHY1498 (4.1 ± 0.6 μM) was significantly lower than that of the positive control, kojic acid (22.0 ± 4.7 μM). In silico molecular multi-docking simulation and inhibition mechanism studies indicated that MHY1498 interacts competitively with the tyrosinase enzyme, with greater affinity for the active site of tyrosinase than the positive control. Furthermore, in B16F10 melanoma cells treated with α-melanocyte-stimulating hormone, MHY1498 suppressed both melanin production and tyrosinase activity. In conclusion, our data demonstrate that MHY1498, a synthesized novel compound, effectively inhibits tyrosinase activity and has potential for treating hyperpigmentation and related disorders.

scholarly journals Dual BACE1 and Cholinesterase Inhibitory Effects of Phlorotannins from Ecklonia cava—An In Vitro and in Silico Study

Marine Drugs ◽  
2019 ◽  
Vol 17 (2) ◽  
pp. 91 ◽  
Author(s):  
Jinhyuk Lee ◽  
Mira Jun
Keyword(s):  
In Silico ◽  
In Vitro Study ◽  
Kinetic Studies ◽  
Binding Energies ◽  
Ecklonia Cava ◽  
Hydroxyl Groups ◽  
Inhibitory Effects ◽  
In Silico Docking ◽  
Ache Inhibitors

Alzheimer′s disease (AD) is one of the most common neurodegenerative diseases with a multifactorial nature. β-Secretase (BACE1) and acetylcholinesterase (AChE), which are required for the production of neurotoxic β-amyloid (Aβ) and the promotion of Aβ fibril formation, respectively, are considered as prime therapeutic targets for AD. In our efforts towards the development of potent multi-target, directed agents for AD treatment, major phlorotannins such as eckol, dieckol, and 8,8′-bieckol from Ecklonia cava (E. cava) were evaluated. Based on the in vitro study, all tested compounds showed potent inhibitory effects on BACE1 and AChE. In particular, 8,8′-bieckol demonstrated the best inhibitory effect against BACE1 and AChE, with IC50 values of 1.62 ± 0.14 and 4.59 ± 0.32 µM, respectively. Overall, kinetic studies demonstrated that all the tested compounds acted as dual BACE1 and AChE inhibitors in a non-competitive or competitive fashion, respectively. In silico docking analysis exhibited that the lowest binding energies of all compounds were negative, and specifically different residues of each target enzyme interacted with hydroxyl groups of phlorotannins. The present study suggested that major phlorotannins derived from E. cava possess significant potential as drug candidates for therapeutic agents against AD.

scholarly journals Flavonoids as tyrosinase inhibitors in in silico and in vitro models: basic framework of SAR using a statistical modelling approach

2021 ◽  
Vol 37 (1) ◽  
pp. 421-430
Author(s):  
Katarzyna Jakimiuk ◽  
Suat Sari ◽  
Robert Milewski ◽  
Claudiu T. Supuran ◽  
Didem Şöhretoğlu ◽  
...  
Keyword(s):  
In Silico ◽  
Statistical Modelling ◽  
In Vitro Models ◽  
Basic Framework ◽  
Tyrosinase Inhibitors ◽  
Modelling Approach

scholarly journals In silico and in vitro insights into tyrosinase inhibitors with a 2-thioxooxazoline-4-one template

2021 ◽  
Vol 19 ◽  
pp. 37-50
Author(s):  
Inkyu Choi ◽  
Yujin Park ◽  
Il Young Ryu ◽  
Hee Jin Jung ◽  
Sultan Ullah ◽  
...  
Keyword(s):  
In Silico ◽  
Tyrosinase Inhibitors

Synthesis and in vitro urease inhibitory activity of benzohydrazide derivatives, in silico and kinetic studies

2019 ◽  
Vol 82 ◽  
pp. 163-177 ◽  
Author(s):  
Azhar Abbas ◽  
Basharat Ali ◽  
Kanwal ◽  
Khalid Mohammed Khan ◽  
Jamshed Iqbal ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
In Silico ◽  
Kinetic Studies ◽  
Urease Inhibitory
Sign in / Sign up

Export Citation Format

Share Document