Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]

Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]

Hystrix brachyura bezoar is calcified undigested material found in the gastrointestinal tract known for various medicinal benefits including as an anticancer agent. However, the H. brachyura population has been declining due to its demand and is under Malaysian law protection. Therefore, present stu...

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Published in:Boletin Latinoamericano y del Caribe de Plantas Medicinales y Aromaticas
Main Author: Khan A.A.Y.F.; Ahmed Q.U.; Khatib A.; Ibrahim Z.; Nipun T.S.; Natto H.A.; Saiman M.Z.; Zakaria Z.A.; Wahab R.A.
Format: Article
Language:English
Published: MS-Editions 2024
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85175322681&doi=10.37360%2fblacpma.24.23.1.4&partnerID=40&md5=fb1c3b2f5b8b5254ecba68132dab1186
id 2-s2.0-85175322681
spelling 2-s2.0-85175322681
Khan A.A.Y.F.; Ahmed Q.U.; Khatib A.; Ibrahim Z.; Nipun T.S.; Natto H.A.; Saiman M.Z.; Zakaria Z.A.; Wahab R.A.
Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]
2024
Boletin Latinoamericano y del Caribe de Plantas Medicinales y Aromaticas
23
1
10.37360/blacpma.24.23.1.4
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85175322681&doi=10.37360%2fblacpma.24.23.1.4&partnerID=40&md5=fb1c3b2f5b8b5254ecba68132dab1186
Hystrix brachyura bezoar is calcified undigested material found in the gastrointestinal tract known for various medicinal benefits including as an anticancer agent. However, the H. brachyura population has been declining due to its demand and is under Malaysian law protection. Therefore, present study aimed to identify bezoar anticancer active compounds through metabolomics and in-silico approaches. Five replicates of bezoar powder were subjected to extraction using different solvent ratios of methanol-water (100, 75, 50, 25, 0% v/v). Cytotoxicity and metabolite profiling using liquid chromatography-mass spectrometry were conducted. Putative compounds identified were subjected to in-silico analysis with targeted anticancer proteins namely, Bcl-2, Cyclin B/CDK1 complex, VEGF and NM23-H1. The correlation of LC-MS and cytotoxicity profile pinpointed two compounds, mangiferin and propafenone. In-silico study showed both compounds exerted good binding scores to all proteins with hydrophobic interaction dominating the ligand-protein complex binding, suggesting the ligands act as hydrophobes in the interactions. © 2024, MS-Editions. All rights reserved.
MS-Editions
7177917
English
Article
All Open Access; Gold Open Access
author Khan A.A.Y.F.; Ahmed Q.U.; Khatib A.; Ibrahim Z.; Nipun T.S.; Natto H.A.; Saiman M.Z.; Zakaria Z.A.; Wahab R.A.
spellingShingle Khan A.A.Y.F.; Ahmed Q.U.; Khatib A.; Ibrahim Z.; Nipun T.S.; Natto H.A.; Saiman M.Z.; Zakaria Z.A.; Wahab R.A.
Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]
author_facet Khan A.A.Y.F.; Ahmed Q.U.; Khatib A.; Ibrahim Z.; Nipun T.S.; Natto H.A.; Saiman M.Z.; Zakaria Z.A.; Wahab R.A.
author_sort Khan A.A.Y.F.; Ahmed Q.U.; Khatib A.; Ibrahim Z.; Nipun T.S.; Natto H.A.; Saiman M.Z.; Zakaria Z.A.; Wahab R.A.
title Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]
title_short Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]
title_full Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]
title_fullStr Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]
title_full_unstemmed Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]
title_sort Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1; [Identificación de inhibidores de cáncer a partir de extractos de bezoar de Hystrix branchyura usando análisis multivariado LC-MS y evaluación in silico en Bcl-2, cyclin B/CDK1, VEGF, y NM23-H1]
publishDate 2024
container_title Boletin Latinoamericano y del Caribe de Plantas Medicinales y Aromaticas
container_volume 23
container_issue 1
doi_str_mv 10.37360/blacpma.24.23.1.4
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85175322681&doi=10.37360%2fblacpma.24.23.1.4&partnerID=40&md5=fb1c3b2f5b8b5254ecba68132dab1186
description Hystrix brachyura bezoar is calcified undigested material found in the gastrointestinal tract known for various medicinal benefits including as an anticancer agent. However, the H. brachyura population has been declining due to its demand and is under Malaysian law protection. Therefore, present study aimed to identify bezoar anticancer active compounds through metabolomics and in-silico approaches. Five replicates of bezoar powder were subjected to extraction using different solvent ratios of methanol-water (100, 75, 50, 25, 0% v/v). Cytotoxicity and metabolite profiling using liquid chromatography-mass spectrometry were conducted. Putative compounds identified were subjected to in-silico analysis with targeted anticancer proteins namely, Bcl-2, Cyclin B/CDK1 complex, VEGF and NM23-H1. The correlation of LC-MS and cytotoxicity profile pinpointed two compounds, mangiferin and propafenone. In-silico study showed both compounds exerted good binding scores to all proteins with hydrophobic interaction dominating the ligand-protein complex binding, suggesting the ligands act as hydrophobes in the interactions. © 2024, MS-Editions. All rights reserved.
publisher MS-Editions
issn 7177917
language English
format Article
accesstype All Open Access; Gold Open Access
record_format scopus
collection Scopus
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