About: In silico target fishing and pharmacological profiling for the isoquinoline alkaloids of Macleayacordata (Bo Luo Hui)

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About: In silico target fishing and pharmacological profiling for the isoquinoline alkaloids of Macleayacordata (Bo Luo Hui) Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : covidontheweb.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	In silico target fishing and pharmacological profiling for the isoquinoline alkaloids of Macleayacordata (Bo Luo Hui)
Creator	Lei, Qifang Liu, Haibo Peng, Yong Xiao, Peigen
Source	Medline; PMC
abstract	BACKGROUND: Some isoquinoline alkaloids from Macleaya cordata (Willd). R. Br. (Bo Luo Hui) exhibited antibacterial, antiparasitic, antitumor, and analgesic effects. The targets of these isoquinoline alkaloids are undefined. This study aims to investigate the compound–target interaction network and potential pharmacological actions of isoquinoline alkaloids of M. cordata by reverse pharmacophore database screening. METHODS: The targets of 26 isoquinoline alkaloids identified from M. cordata were predicted by a pharmacophore-based target fishing approach. Discovery Studio 3.5 and two pharmacophore databases (PharmaDB and HypoDB) were employed for the target profiling. A compound–target interaction network of M. cordata was constructed and analyzed by Cytoscape 3.0. RESULTS: Thirteen of the 65 predicted targets identified by PharmaDB were confirmed as targets by HypoDB screening. The targets in the interaction network of M. cordata were involved in cancer (31 targets), microorganisms (12 targets), neurodegeneration (10 targets), inflammation and autoimmunity (8 targets), parasitosis (5 targets), injury (4 targets), and pain (3 targets). Dihydrochelerythrine (C6) was found to hit 23 fitting targets. Macrophage migration inhibitory factor (MIF) hits 15 alkaloids (C1–2, C11–16, C19–25) was the most promising target related to cancer. CONCLUSION: Through in silico target fishing, the anticancer, anti-inflammatory, and analgesic effects of M. cordata were the most significant among many possible activities. The possible anticancer effects were mainly contributed by the isoquinoline alkaloids as active components.
has issue date	2015-12-17(xsd:dateTime)
bibo:doi	10.1186/s13020-015-0067-4
bibo:pmid	26691584
has license	cc-by
sha1sum (hex)	eb5417b7729ff5548e5b9ddcb837fa52efc586f8
schema:url	https://doi.org/10.1186/s13020-015-0067-4
resource representing a document's title	In silico target fishing and pharmacological profiling for the isoquinoline alkaloids of Macleayacordata (Bo Luo Hui)
has PubMed Central identifier	PMC4683977
has PubMed identifier	26691584
schema:publication	Chin Med
resource representing a document's body	covid:eb5417b7729ff5548e5b9ddcb837fa52efc586f8#body_text
is schema:about of	named entity 'IN SILICO' named entity 'ISOQUINOLINE ALKALOIDS' named entity 'THESE' named entity 'UNDEFINED' named entity 'LUO' named entity 'BACKGROUND' named entity 'MACLEAYA CORDATA' named entity 'PHARMACOLOGICAL' named entity 'ANALGESIC EFFECTS' named entity 'ANTIBACTERIAL' named entity 'ISOQUINOLINE ALKALOIDS' named entity 'INTERACTION NETWORK' named entity 'TARGETS' named entity 'LUO' named entity 'STUDY' named entity 'REVERSE' named entity 'HUI' named entity 'TARGET' named entity 'FISHING' named entity 'MACLEAYA CORDATA' named entity 'TARGET' named entity 'AIMS' named entity 'COMPOUND' named entity 'ANTITUMOR' named entity 'PHARMACOLOGICAL' named entity 'DATABASE' named entity 'PHARMACOPHORE' named entity 'TO INVESTIGATE' named entity 'POTENTIAL' named entity 'HUI' named entity 'BR.' named entity 'ANTIPARASITIC' named entity 'SCREENING' named entity 'ACTIONS' covid:arg/eb5417b7729ff5548e5b9ddcb837fa52efc586f8 named entity 'pharmacological' named entity 'isoquinoline alkaloids' named entity 'Macleaya cordata' named entity 'antitumor' named entity 'M. cordata' named entity 'excluded volume' named entity 'M. cordata' named entity 'pancreatic ductal adenocarcinoma' named entity 'isoquinoline alkaloids' named entity 'analgesic activity' named entity 'NADP' named entity 'PIM-1' named entity 'PIM-1' named entity 'C11' named entity 'M. cordata' named entity 'ActR' named entity 'RMSD' named entity 'Parkinson's disease' named entity 'benzo' named entity 'alkaloids' named entity 'cancer cells' named entity 'alkaloids' named entity 'pharmacophore' named entity 'Pharmacophores' named entity 'antioxidant' named entity 'M. cordata' named entity 'cytosol' named entity 'ion trap' named entity 'serine threonine kinase' named entity 'MOE' named entity 'inflammation' named entity 'Prof.' named entity 'parasitosis' named entity 'DS 3' named entity 'schizophrenia' named entity 'anti-inflammatory' named entity 'biological activities' named entity 'alkaloids' named entity 'PIM-1' named entity 'deoxycorticosterone' named entity 'antioxidant' named entity 'inflammatory cytokines' named entity 'physiological'

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