Virtual screening,docking and molecular dynamics simulation of selected phytochemical compounds bound to receptor tyrosine kinases:A correlative anti angiogenic study.
1-Hydroxycryprochine
Phytochemical
TIP database
angiogenesis
anticancer
molecular docking
molecular dynamics
Journal
Bioinformation
ISSN: 0973-2063
Titre abrégé: Bioinformation
Pays: Singapore
ID NLM: 101258255
Informations de publication
Date de publication:
2019
2019
Historique:
received:
09
09
2019
revised:
16
09
2019
accepted:
19
09
2019
entrez:
3
12
2019
pubmed:
4
12
2019
medline:
4
12
2019
Statut:
epublish
Résumé
Screening of phytochemicals for their anti angiogenic potential has been a growing area of research in the current decade. The following study proposes virtual screening, drug likeliness and ADME filtering of specific phytochemical based compounds retrieved from "TIP - A Database of Taiwan Indigenous Plants". The study further subjects the filtered phytochemicals for their molecular docking analysis and molecular dynamics simulation studies against the prominent receptor tyrosine kinases EGFR, VEGFR-1 and VEGFR-2 involved in angiogenesis phenomenon. Among the various in silico analysis done and precise interpretations, the current study finally proposes 1- Hydroxycryprochine as one of the most potent lead in combating angiogenic phenomenon and thus cancer. The following study involves all such important use of in silico platforms, tools and analysis protocols which are expected to reproduce commendable results in wet lab studies. The proposed compound 1-hydroxycryprochine tends to justify its anti angogenic potential in all interactional and stability studies.
Identifiants
pubmed: 31787809
doi: 10.6026/97320630015613
pii: 97320630015613
pmc: PMC6859704
doi:
Types de publication
Journal Article
Langues
eng
Pagination
613-620Informations de copyright
© 2019 Biomedical Informatics.
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