Taxonomic group: fungi / Basidiomycota
(Phylum: Basidiomycota)
Organ / tissue: fruiting body
Journal NLM ID: 101266394WWW link: https://pharmacologyonline.silae.it/files/archives/2020/vol2/PhOL_2020_2_A033_Oyinloye.pdfPublisher: Salerno: SILAE
Correspondence: Ajiboye BO <bash1428
yahoo.co.uk>; Ajiboye BO <ajiboyebo
abuad.edu.ng>
Institutions: Phytomedicine, Biochemical Toxicology and Biotechnology Research Laboratory, Department of Biochemistry, Afe Babalola University, Ado-Ekiti, Nigeria, Biotechnology and Structural Biochemistry (BSB) Group, Department of Biochemistry and Microbiology, Faculty of Science and Agriculture, University of Zululand, KwaDlangezwa, South Africa
This study was projected to assess the structure-based docking studies of monoamine oxidase against bioactive compounds from Trametes pubescens fruiting body extract in the treatment of neurodegenerative diseases. In this study, five bioactive compounds were acknowledged monoamine oxidase inhibitors acquired from T. pubescens fruiting body extract which were retrieved by the PubChem database. Molecular docking investigations in addition to ADME studies were carried out using different bioinformatics tools. The findings demonstrated that epigallocatechin gallate (-11.770 kcal/mol), caffeic acid (-7.010 kcal/mol) and gallic acid (-6.984 kcal/mol) have the highest molecular docking scores than the coligand used (zonisamide) (-6.328 kcal/mol). Whereas, naringin (-4.514 kcal/mol) and rutin hydrate (-3.833 kcal/mol) have the lowest molecular binding scores when compared to the coligand. However, only gallic and caffeic acids have good ADME results and compared favourably with the coligand. Hence, it can be deduced from this study that gallic and caffeic acids can function as a possible therapeutic agent in the treatment of neurodegenerative diseases better than zonisamide (coligand).
zonisamide, molecular binding score, ADME, coligand
Structure type: oligomer
C
27H
30O
16Location inside paper: Table 1, Table 2, Fig. 1, rutin hydrate
Trivial name: rutin, rutoside, rutin, quercetin rutinoside, rutoside, quercetin 3-O-rutinose, quercetin-3-O-rutinoside, quercetin 3-O-rutinoside
Compound class: saponin glycoside, glycoside, flavonoid glycoside, flavonol glycoside, flavone glycoside
Contained glycoepitopes: IEDB_136105,IEDB_142488,IEDB_144144,IEDB_146664,IEDB_225177,IEDB_885823,IEDB_983931,SB_192
Methods: molecular modeling
Related record ID(s): 50448
NCBI Taxonomy refs (TaxIDs): 154538Reference(s) to other database(s): CCSD:
50720, CBank-STR:3399
Show glycosyltransferases
There is only one chemically distinct structure:
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