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瑞香狼毒中类胡萝卜素和脂肪酸的抗污潜力及计算机分析

Anti-fouling potential and in-silico analysis of carotenoid and fatty acids from Rauvolfia tetraphylla L.

机构信息

Environmental Science Laboratory, Centre of Advanced Study in Marine Biology, Faculty of Marine Sciences, Annamalai University, Parangipettai, 608502, Chidambaram, Cuddalore District, Tamilnadu, India.

Department of Biotechnology, Dhanalakshmi Srinivasan Arts and Science College for Women (Affiliated to Bharadhidasan University), Trichy, Tamil Nadu, India.

出版信息

Environ Res. 2023 Aug 15;231(Pt 2):116158. doi: 10.1016/j.envres.2023.116158. Epub 2023 May 17.

DOI:10.1016/j.envres.2023.116158
PMID:37201709
Abstract

Study investigated the antifouling potential ofRauvolfia tetraphyllaL. fruit, leaf and stem extracts against the marine fouling organisms throughin-vitroand in-silicoapproach. Methanolic crude extract of R. tetraphylla L.leaf exhibited maximum antibacterial potential against six fouling organisms isolated from Parangipettai coast and was further taken up for column fractionation. Twenty-four fractions were obtained, among which five fractions showed inhibitory efficiency against microfoulers of Bacillus megaterium. The active compounds present in the bioactive fraction were identified by FTIR, GC-MS and NMR (13C; 1H). The bioactive compounds that exhibited maximum antifouling activity were identified as Lycopersene (80%), Hexadecanoic acid; 1, 2-Benzenedicarboxylic acid, dioctyl ester; Heptadecene - (8) - carbonic acid - (1) and Oleic acid. Molecular docking studies of the potent anti-fouling compounds Lycopersene, Hexadecanoic acid, 1, 2-Benzenedicarboxylic acid, dioctyl ester and Oleic acid showed the binding energy of 6.6, - 3.8, -5.3 and -5.9 (Kcal/mol) and hence these compounds will act as a potential biocide to control the aquatic foulers. Moreover, further studies need to carry out in terms of toxicity, field assessment and clinical trial in order to take these biocides for a patent.

摘要

本研究采用体外和计算方法研究了三叶萝芙木(Rauvolfia tetraphylla L.)果实、叶和茎提取物的抗海洋污损生物潜力。三叶萝芙木叶甲醇粗提物对从帕兰吉佩塔伊海岸分离的六种污损生物表现出最大的抗菌潜力,并进一步进行了柱层析分离。得到二十四份馏分,其中五份馏分对 Bacillus megaterium 的微生物污损生物具有抑制效率。通过 FTIR、GC-MS 和 NMR (13C; 1H) 鉴定了生物活性馏分中存在的活性化合物。表现出最大抗污损活性的活性化合物被鉴定为番茄红素(80%)、己酸;1,2-苯二甲酸,二辛酯;十七烯-(8)-碳酸-(1)和油酸。番茄红素、己酸、1,2-苯二甲酸,二辛酯和油酸等有效抗污损化合物的分子对接研究表明其结合能分别为 6.6、-3.8、-5.3 和-5.9(Kcal/mol),因此这些化合物将作为潜在的杀生剂来控制水生污损生物。此外,为了获得专利,还需要进一步进行毒性、现场评估和临床试验方面的研究。

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