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采用体外和计算机模拟方法评估三叶鬼针草次生代谢产物的抗结核活性

Evaluation of Tridax procumbens Secondary Metabolites Anti-Tuberculosis Activity by In Vitro and In Silico Methods.

作者信息

Seetharaman Jayashri, Priya R Akshaya, Philip Reya Rene, Muthuraj M, Sankari D

机构信息

Department of Biotechnology, Faculty of Science and Humanities, SRM Institute of Science and Technology, Kattankulathur, Tamilnadu, 603203, India.

Department of Microbiology, Intermediate Reference Laboratory, State TB Training and Demonstration Centre, Government Hospital for Chest Diseases, Gorimedu, Puducherry, 605006, India.

出版信息

Curr Microbiol. 2024 Dec 19;82(1):50. doi: 10.1007/s00284-024-04033-9.

DOI:10.1007/s00284-024-04033-9
PMID:39702691
Abstract

Mycobacterium tuberculosis is a human pathogen that causes Tuberculosis (TB) disease. Researchers have reported the activity of traditional medicinal plants against human pathogens. However, antimycobacterial studies of medicinal plants against M. tuberculosis remain limited. Thus, the purpose of this study is to characterize the phytochemical profile, antibacterial and antimycobacterial activity of Tridax procumbens towards H37Rv. The antibacterial activity was elucidated by the inhibitory zone formed around the disc by performing disk diffusion method. Tridax antimycobacterial activity measured by Microplate Alamar Blue Assay (MABA) infers the sample is sensitive to H37Rv at MIC (minimum inhibitory concentration) 600 µg/mL. BACTEC MGIT 960 DST identifies the sample is susceptible to H37Rv and Rifampicin resistant (RR). Antiproliferative, functional group determination and mechanism of action of secondary metabolites were performed by MTT, Fourier transform infrared spectroscopy (FTIR) and Gas Chromatography-mass spectrometry (GC-MS). The phytocompounds antimycobacterial efficacy is further supported by molecular docking data. The binding interactions of ligands with gyrA gene revealed (S,Z)-Heptadeca-1,9-dien-4,6-diyn-3-ol molecule as a prominent phytocompound with a binding affinity of -6.6 kcal/mol.

摘要

结核分枝杆菌是一种导致结核病的人类病原体。研究人员已报道了传统药用植物对人类病原体的活性。然而,药用植物对结核分枝杆菌的抗分枝杆菌研究仍然有限。因此,本研究的目的是表征平卧银胶菊对H37Rv的植物化学特征、抗菌和抗分枝杆菌活性。通过纸片扩散法,通过纸片周围形成的抑菌圈来阐明抗菌活性。通过微孔板阿尔玛蓝法(MABA)测定的平卧银胶菊抗分枝杆菌活性推断该样品在最低抑菌浓度(MIC)为600μg/mL时对H37Rv敏感。BACTEC MGIT 960药物敏感性试验确定该样品对H37Rv敏感且对利福平耐药(RR)。通过MTT、傅里叶变换红外光谱(FTIR)和气相色谱-质谱联用(GC-MS)对次生代谢产物的抗增殖、官能团测定及作用机制进行了研究。分子对接数据进一步支持了植物化合物的抗分枝杆菌功效。配体与gyrA基因的结合相互作用显示,(S,Z)-十七碳-1,9-二烯-4,6-二炔-3-醇分子是一种突出的植物化合物,结合亲和力为-6.6千卡/摩尔。

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