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锯叶棕植物提取物的分子对接及体外抗菌活性分析

Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities.

作者信息

Vakayil Ramsi, Anbazhagan Murugesan, Shanmugam Gnanendra, Ramasamy Srinivasan, Mathanmohun Maghimaa

机构信息

Department of Microbiology, Muthayammal College of Arts and Science, Rasipuram, Namakkal, Tamilnadu, India.

Department of Botany, Government Arts and Science College, Thiruvannamalai - 606603. Tamilnadu, India.

出版信息

Bioinformation. 2021 Jul 31;17(7):667-672. doi: 10.6026/97320630017667. eCollection 2021.

DOI:10.6026/97320630017667
PMID:35283584
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8882077/
Abstract

The bioactives of Boswellia serrata have a role in ulcer healing therapies. Eleven bioactive compounds were obtained by GC-MS among which Cholan-24-oic acid, 3,12-bis (acetyl oxy) has a high molecular weight of 490.6719 with a retention time of 26.729. Twenty wound samples were collected aseptically from the labs and hospitals in and around the Namakkal districts of Tamilnadu, India. The antibacterial potential of E.coli showed a maximum inhibition of 27 mm against Tetracycline at 30µg. The ethanolic extract of the B. serrata shows a susceptibility of 19mm towards E. coli at 60µg concentration in MIC. Molecular docking results show the binding energy of Cholan-24-oic acid, 3,12-bis(acetyloxy) -8.6 (kcal/mol) followed by Pyrene, hexadecahydro- -6.7 (kcal/mol), and 5(1H)- Azulenone, 2,4,6,7,8,8a-hexahydro-3,8-dimethyl-4-(1-methylethylidene)-, (8S-cis)- 6.4 (kcal/mol) for further consideration.

摘要

锯叶乳香的生物活性成分在溃疡愈合治疗中发挥作用。通过气相色谱 - 质谱联用(GC-MS)获得了11种生物活性化合物,其中胆烷 - 24 - 酸,3,12 - 双(乙酰氧基)的分子量为490.6719,保留时间为26.729。从印度泰米尔纳德邦纳马卡尔区及其周边的实验室和医院无菌采集了20个伤口样本。大肠杆菌的抗菌潜力显示,在30μg时对四环素的最大抑制为27mm。锯叶乳香的乙醇提取物在MIC中60μg浓度下对大肠杆菌的药敏性为19mm。分子对接结果显示,胆烷 - 24 - 酸,3,12 - 双(乙酰氧基)的结合能为 - 8.6(千卡/摩尔),其次是十六氢芘 - 6.7(千卡/摩尔),以及(8S - 顺式)-2,4,6,7,8,8a - 六氢 - 3,8 - 二甲基 - 4 - (1 - 亚乙基)-5(1H)- 薁酮6.4(千卡/摩尔)以供进一步研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/b0a01b64464e/97320630017667F5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/eb412ec7a19f/97320630017667F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/ded8ad401282/97320630017667F2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/9f816f0dca08/97320630017667F3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/ea3df41ef609/97320630017667F4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/b0a01b64464e/97320630017667F5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/eb412ec7a19f/97320630017667F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/ded8ad401282/97320630017667F2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/9f816f0dca08/97320630017667F3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/ea3df41ef609/97320630017667F4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/febc/8882077/b0a01b64464e/97320630017667F5.jpg

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