Estimation of Inhibitory Effect against Tyrosinase Activity through Homology Modeling and Molecular Docking

Enzyme Research
Daungkamon NokinseePiyarat Nimmanpipug

Abstract

Tyrosinase is a key enzyme in melanogenesis. Generally, mushroom tyrosinase from A. bisporus had been used as a model in skin-whitening agent tests employed in the cosmetic industry. The recently obtained crystal structure of bacterial tyrosinase from B. megaterium has high similarity (33.5%) to the human enzyme and thus it was used as a template for constructing of the human model. Binding of tyrosinase to a series of its inhibitors was simulated by automated docking calculations. Docking and MD simulation results suggested that N81, N260, H263, and M280 are involved in the binding of inhibitors to mushroom tyrosinase. E195 and H208 are important residues in bacterial tyrosinase, while E230, S245, N249, H252, V262, and S265 bind to inhibitors and are important in forming pi interaction in human tyrosinase.

References

Mar 5, 1992·Nature·R LüthyD Eisenberg
Oct 1, 1993·The Biochemical Journal·J R RosF García-Cánovas
Sep 1, 1997·Nucleic Acids Research·S F AltschulD J Lipman
Jul 25, 2000·Comparative Biochemistry and Physiology. Part B, Biochemistry & Molecular Biology·K H KongS H Cho
Apr 16, 2002·Biochemistry. Biokhimii︠a︡·G S Gukasyan
Jan 21, 2006·Systematic and Applied Microbiology·Harald Claus, Heinz Decker
Dec 16, 2006·Nucleic Acids Research·David L WheelerEugene Yaschenko
Apr 24, 2007·Journal of Medicinal Chemistry·Soliman KhatibJacob Vaya
Sep 14, 2007·Pigment Cell Research·Thorsten SchweikardtHeinz Decker
Jan 19, 2008·Planta medica·Abdulmagid Alabdul MagidCatherine Lavaud
Feb 14, 2008·Journal of Oleo Science·Kensaku TakaraKoji Wada
Mar 8, 2008·Bioorganic & Medicinal Chemistry·Jinbing LiuHuacan Song
Sep 11, 2008·Bioorganic & Medicinal Chemistry Letters·Hiromi OozekiKen-ichi Nihei
Jan 13, 2009·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Saruth NithitanakoolPatchreenart Saparpakorn
May 15, 2009·The Journal of Investigative Dermatology·Anan Abu UbeidBasil M Hantash
Jul 8, 2009·International Journal of Molecular Sciences·Te-Sheng Chang
Aug 13, 2009·Journal of Molecular Microbiology and Biotechnology·Vered Shuster, Ayelet Fishman
Oct 6, 2009·Bioorganic & Medicinal Chemistry Letters·Wei YiHuacan Song
Nov 3, 2010·Journal of Molecular Biology·Mor SendovskiAyelet Fishman
May 13, 2011·Bioorganic & Medicinal Chemistry·María Eugenia ChiariMaría Cecilia Carpinella
Jul 23, 2011·European Journal of Medicinal Chemistry·Wei YiAhcène Boumendjel
Nov 10, 2011·Journal of Biomolecular Structure & Dynamics·Shang-Jun YinYong-Doo Park
Feb 9, 2012·International Journal of Biological Macromolecules·Mahdi AlijanianzadehAli Akbar Moosavi-Movahedi
May 12, 2012·Enzyme Research·Su-Fang WangGuo-Ying Qian
Jul 28, 2012·Bioorganic & Medicinal Chemistry Letters·Argyro VontzalidouAlexios-Leandros Skaltsounis
Dec 12, 2012·Journal of the European Academy of Dermatology and Venereology : JEADV·L KolbeF Stäb
May 15, 2013·Nucleic Acids Research·Hamish McWilliamRodrigo Lopez
Nov 30, 2013·International Journal of Molecular Sciences·Kuo-Ching WenHsiu-Mei Chiang
Jun 12, 2014·Current Topics in Medicinal Chemistry·F Sezer SenolFikri Ak
Jul 9, 2014·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Carlyle Ribeiro LimaCláudio N Alves

❮ Previous
Next ❯

Citations

Nov 15, 2017·PloS One·Antonio Garcia-JimenezJosé Neptuno Rodriguez-Lopez
Jul 10, 2020·International Journal of Molecular Sciences·Lucas Sousa MartinsJosé Rogério A Silva
Feb 19, 2021·Microbial Cell Factories·Iniyakumar MunirajSivakumar Uthandi
Jul 6, 2021·Journal of Food Biochemistry·Jesus Manzano-NicolasJose Munoz-Munoz

❮ Previous
Next ❯

Methods Mentioned

BETA
X-ray

Software Mentioned

Verify
AMBER
PROCHECK
BLAST ( Basic Local Alignment Search Tool )
Verify 3D
AutoDock4
SHAKE
Discovery
Studio

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

© 2022 Meta ULC. All rights reserved