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

被引：0

作者：

Khan, Al' aina Yuhainis Firus ^{[1
,2
]}

Ahmed, Qamar Uddin ^{[3
]}

Khatib, Alfi ^{[3
]}

Ibrahim, Zalikha ^{[3
]}

Nipun, Tanzina Sharmin ^{[4
]}

Natto, Hatim Abdullah ^{[2
,5
]}

Saiman, Mohd Zuwairi ^{[6
,7
]}

Zakaria, Zainul Amiruddin ^{[8
]}

Wahab, Ridhwan Abdul ^{[9
]}

机构：

[1] Univ Teknol MARA, Fac Educ, Dept Sci Educ, Puncak Alam, Malaysia

[2] Int Islamic Univ Malaysia, Dept Biomed Sci, Kulliyyah Allied Hlth Sci, Kuantan, Malaysia

[3] Int Islamic Univ Malaysia, Dept Pharmaceut Chem, Kulliyyah Pharm, Pharmacognosy Res Grp, Kuantan, Malaysia

[4] Univ Chittagong, Fac Biol Sci, Dept Pharm, Chittagong, Bangladesh

[5] Umm Al Qura Univ, Coll Publ Hlth & Hlth Informat, Dept Epidemiol, Makkah Al Mukaramah, Saudi Arabia

[6] Univ Malaya, Inst Biol Sci, Fac Sci, Kuala Lumpur, Malaysia

[7] Univ Malaya, Fac Sci, Ctr Res Biotechnol Agr, Kuala Lumpur, Malaysia

[8] Univ Malaysia Sabah, Fac Med & Hlth Sci, Borneo Res Algesia Inflammat & Neurodegenerat BRAI, Kota Kinabalu, Sabah, Malaysia

[9] Management & Sci Univ, Int Med Sch, Dept Preclin, Shah Alam, Malaysia

来源：

BOLETIN LATINOAMERICANO Y DEL CARIBE DE PLANTAS MEDICINALES Y AROMATICAS | 2024年 / 23卷 / 01期

关键词：

Hystrix brachyura; Anticancer; LCMS; Metabolomics; Molecular docking; MOLECULAR DOCKING; CRYSTAL-STRUCTURE; PROPAFENONE; FAMILY; CELLS; ANGIOGENESIS; ANTIOXIDANT; ACTIVATION; HALLMARKS; PROTEINS;

D O I：

10.37360/blacpma.24.23.1.4

中图分类号：

R [医药、卫生];

学科分类号：

10 ;

摘要：

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.

引用

页码：41 / 60

页数：20