Identification and Evaluation of Inhibitors of Lipase from
Catalytic Domain
Enzyme Inhibitors
/ analysis
High-Throughput Screening Assays
/ methods
Hydrogen Bonding
Ligands
Lipase
/ antagonists & inhibitors
Malassezia
/ enzymology
Molecular Docking Simulation
Molecular Dynamics Simulation
Principal Component Analysis
Protein Structure, Secondary
Solvents
Thermodynamics
Malassezia restricta
Zinc database
anti-dandruff
drug design and discovery
lipase
molecular dynamics simulation
traditional Chinese medicine
Journal
International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791
Informations de publication
Date de publication:
18 Feb 2019
18 Feb 2019
Historique:
received:
28
12
2018
revised:
09
02
2019
accepted:
13
02
2019
entrez:
21
2
2019
pubmed:
20
2
2019
medline:
1
6
2019
Statut:
epublish
Résumé
Recent studies revealed the role of lipase in the pathogenicity of
Identifiants
pubmed: 30781686
pii: ijms20040884
doi: 10.3390/ijms20040884
pmc: PMC6412828
pii:
doi:
Substances chimiques
Enzyme Inhibitors
0
Ligands
0
Solvents
0
Lipase
EC 3.1.1.3
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : the National Outstanding Youth Science Foundation of China
ID : 31725022
Organisme : Molecular Enzyme and Engineering International Cooperation Base of South China University of Technology
ID : 2017A050503001
Organisme : Special Program of Guangdong Province for Leader Project in Science and Technology Innovation: Development of New Partial Glycerin Lipase
ID : 2015TX01N207
Organisme : Science and Technology Planning project of Guangdong Province
ID : 2016B090920082
Références
J Biomol Struct Dyn. 1999 Jun;16(6):1205-18
pubmed: 10447204
J Med Chem. 2002 Jun 6;45(12):2615-23
pubmed: 12036371
J Clin Microbiol. 2002 Sep;40(9):3350-7
pubmed: 12202578
Protein Sci. 2004 Jan;13(1):113-24
pubmed: 14691227
FEMS Yeast Res. 2004 Jan;4(4-5):401-8
pubmed: 14734020
Acta Crystallogr D Biol Crystallogr. 2004 Aug;60(Pt 8):1355-63
pubmed: 15272157
J Chem Inf Model. 2005 Jan-Feb;45(1):177-82
pubmed: 15667143
FEMS Microbiol Lett. 2005 Mar 15;244(2):359-65
pubmed: 15766791
J Comput Chem. 2005 Dec;26(16):1701-18
pubmed: 16211538
J Investig Dermatol Symp Proc. 2005 Dec;10(3):295-7
pubmed: 16382685
Microbiology. 2006 Feb;152(Pt 2):547-54
pubmed: 16436442
J Mol Biol. 2009 Jan 9;385(1):312-29
pubmed: 18952103
Carbohydr Res. 2009 Mar 10;344(4):491-500
pubmed: 19185293
J Comput Chem. 2010 Jan 30;31(2):455-61
pubmed: 19499576
Cell. 2010 Jan 8;140(1):49-61
pubmed: 20079333
J Med Chem. 2010 Apr 8;53(7):2719-40
pubmed: 20131845
Biophys J. 2010 Mar 3;98(5):861-71
pubmed: 20197040
Methods Mol Biol. 2014;1084:193-226
pubmed: 24061923
J Biomol Struct Dyn. 2015;33(1):121-33
pubmed: 24279700
J Agric Food Chem. 2014 Jun 25;62(25):5726-33
pubmed: 24460517
J Chem Inf Model. 2014 Jul 28;54(7):1951-62
pubmed: 24850022
Phys Chem Chem Phys. 2014 Jul 28;16(28):14882-93
pubmed: 24930496
J Biotechnol. 2014 Oct 10;187:139-46
pubmed: 25093937
PLoS One. 2015 Feb 19;10(2):e0117921
pubmed: 25695430
Expert Opin Drug Discov. 2015 May;10(5):449-61
pubmed: 25835573
J Mol Model. 2015 Sep;21(9):228
pubmed: 26267297
FEMS Yeast Res. 2015 Nov;15(7):null
pubmed: 26298017
J Biomol Struct Dyn. 2016 Aug;34(8):1681-92
pubmed: 26336893
Mycoses. 2015 Nov;58(11):671-8
pubmed: 26404462
Gene. 2016 Jan 15;576(1 Pt 1):36-44
pubmed: 26415878
J Chem Inf Model. 2015 Nov 23;55(11):2324-37
pubmed: 26479676
J Biomol Struct Dyn. 2017 Jan;35(1):105-118
pubmed: 26727234
Int J Biol Macromol. 2016 Apr;85:48-62
pubmed: 26730484
Sci Rep. 2016 May 12;6:24877
pubmed: 27172459
J Biomol Struct Dyn. 2017 Aug;35(10):2123-2135
pubmed: 27366981
Mol Inform. 2012 Feb;31(2):114-22
pubmed: 27476956
Curr Protein Pept Sci. 2018;19(5):507-522
pubmed: 27829346
Sci Rep. 2017 Mar 03;7:42717
pubmed: 28256516
Front Bioeng Biotechnol. 2017 Mar 09;5:16
pubmed: 28337436
Sci Rep. 2017 May 18;7(1):2118
pubmed: 28522849
Int J Biol Macromol. 2018 May;111:208-218
pubmed: 29309873
Int J Biol Macromol. 2018 May;111:548-560
pubmed: 29329815
J Chem Theory Comput. 2018 Nov 9;:null
pubmed: 30354113
J Mol Graph. 1996 Feb;14(1):33-8, 27-8
pubmed: 8744570