In Silico Analysis and Functional Characterization of Antimicrobial and Insecticidal Vicilin from Moth Bean (Vigna aconitifolia (Jacq.) Marechal) Seeds

Molecules

Ahsan Saeed¹  Ahmed Akrem¹  Muhammad Bilal²  Ayesha Kanwal³  Muhammad Tahir ul Qamar⁴  Binish Khaliq⁵  Qamar Saeed⁶  Metab Alharbi⁷  Abdulrahman Alshammari⁷  Muhammad Nauman Atiq⁸  Muhammad Muzammal Adeel⁹  Muhammad Ateeq^1,10 

[1] Botany Division, Institute of Pure and Applied Biology, Bahauddin Zakariya University, Multan 60800, Pakistan;Centre of Excellence in Molecular Biology, University of the Punjab, 87-West Canal Road Thokar Niaz Baig, Lahore 53700, Pakistan;College of Life Sciences, University of Science and Technology of China, Hefei 230027, China;Department of Bioinformatics and Biotechnology, Government College University, Faisalabad 38000, Pakistan;Department of Botany, Faculty of Life Science, University of Okara, Okara 56300, Pakistan;Department of Entomology, Bahauddin Zakariya University, Multan 60800, Pakistan;Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P. O. Box 2455, Riyadh 11451, Saudi Arabia;Hubei Insect Resources Utilization and Sustainable Pest Management Key Laboratory, College of Plant Science and Technology, Huazhong Agricultural University, Wuhan 430070, China;Hubei Provincial Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan 430070, China;Key Laboratory of Horticultural Plant Biology-Ministry of Education, College of Horticulture and Forestry Sciences, Huazhong Agricultural University, Wuhan 430070, China;

关键词: moth bean;    biomolecules;    vicilin;    structure prediction;    antimicrobial;    insecticidal;   

DOI  :  10.3390/molecules27103251

来源: DOAJ

【 摘 要 】

Vicilin has nutraceutical potential and different noteworthy medicative health-promoting biotic diversions, and it is remarkable against pathogenic microorganisms and insects. In this study, Vigna aconitifolia vicilin (VacV) has been identified and characterized from the seed of Vigna aconitifolia (Jacq.) Marechal (Moth beans). LC-MS/MS analysis of VacV provided seven random fragmented sequences comprising 238 residues, showing significant homology with already reported Vigna radiata vicilin (VraV). VacV was purified using ammonium sulfate precipitation (60%) followed by size exclusion chromatography on Hi-Load 16/60 Superdex 200 pg column and anion-exchange chromatography (Hi trap Q FF column). Purified VacV showed a major ~50 kDa band and multiple lower bands on 12% sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE) under both reduced and non-reduced conditions. After all, a three-dimensional molecular structure of VacV was predicted, which showed β-sheeted molecular conformation similar to crystallographic structure of VraV. All Vicilins from V. aconitifolia and other plants were divided into six sub-groups by phylogenetic analysis, and VacV shared a high degree of similarity with vicilins of Vigna radiata, Pisum sativum, Lupinus albus, Cicer arietinum and Glycine max. Additionally, VacV (20 μg) has significant growth inhibition against different pathogenic bacteria along strong antifungal activity (50 μg). Likewise, VacV (3.0 mg) produced significant growth reduction in Rice Weevil Sitophilus oryzae larvae after 9 days compared with control. Furthermore, by using MMT assay, the cytotoxicity effect of VacV on the growth of HepG2 liver cancerous cells was tested. VacV showed cytotoxicity against the HepG-2 line and the acquired value was 180 µg after 48 h. Finally, we performed molecular docking against caspase-3 protein (PDB ID: 3DEI) for VacV bioactive receptor interface residues. Hence, our results reveal that VacV, has nutraceutical potential and moth beans can be used as a rich resource of functional foods.

【 授权许可】

Unknown