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叶绿酸对体外和计算机模拟条件下的抗菌及抗生物膜潜力

Antibacterial and Antibiofilm Potential of Chlorophyllin Against In Vitro and In Silico.

作者信息

Khan Seemrose, Ul Haq Ihtisham, Ali Imran, Rehman Abdul, Almehmadi Mazen, Alsuwat Meshari A, Zaman Tariq, Qasim Muhammad

机构信息

Department of Microbiology, Kohat University of Science & Technology, Kohat 26000, Pakistan.

Department of Physical Chemistry and Technology of Polymers, Silesian University of Technology, 44-100 Gliwice, Poland.

出版信息

Antibiotics (Basel). 2024 Sep 20;13(9):899. doi: 10.3390/antibiotics13090899.

DOI:10.3390/antibiotics13090899
PMID:39335072
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11428499/
Abstract

BACKGROUND

is a leading causative agent of dental caries and exerts pathogenicity by forming biofilms. Dental caries continues to be a significant public health issue worldwide, affecting an estimated 2.5 billion people, showing a 14.6% increase over the past decade. Herein, the antibacterial potential of Chlorophyllin extracted from was evaluated against biofilm-forming via in vitro and in silico studies.

METHODOLOGY

The antimicrobial activity of chlorophyllin extract against isolates was tested using the agar well diffusion method. Chlorophyllin extract was also tested against biofilm-forming isolates of . Chlorophyllin was docked with the antigen I/II (AgI/II) protein of to evaluate its antimicrobial mechanism. The chemical structure and canonical SMILES format of Chlorophyllin were obtained from PubChem. Additionally, adsorption, distribution, metabolism, excretion, and toxicity (ADMET) analyses of Chlorophyllin were performed using ADMETlab 2.0 to assess its pharmacokinetic properties.

RESULTS

An agar well diffusion assay revealed that all isolates were susceptible to Chlorophyllin extract and showed a variety of inhibition zones ranging from 32 to 41 mm. Chlorophyllin reduces the biofilm strength of four isolates from strong to moderate and six from strong to weak. The antibiofilm potential of Chlorophyllin was measured by a reduction in the number of functional groups observed in the Fourier Transform Infrared Spectrometer (FTIR) spectra of the extracellular polymeric substance (EPS) samples. Chlorophyllin showed binding with AgI/II proteins of , which are involved in adherence to the tooth surface and initiating biofilm formation. The ADMET analysis revealed that the safety of Chlorophyllin exhibited favorable pharmacokinetic properties.

CONCLUSIONS

Chlorophyllin stands out as a promising antibacterial and antibiofilm agent against biofilm-forming , and its safety profile highlights its potential suitability for further investigation as a therapeutic agent.

摘要

背景

是龋齿的主要致病因子,通过形成生物膜发挥致病性。龋齿仍然是全球一个重大的公共卫生问题,估计影响25亿人,在过去十年中增加了14.6%。在此,通过体外和计算机模拟研究评估了从提取的叶绿酸对形成生物膜的的抗菌潜力。

方法

采用琼脂孔扩散法测试叶绿酸提取物对分离株的抗菌活性。还测试了叶绿酸提取物对形成生物膜的分离株的作用。将叶绿酸与的抗原I/II(AgI/II)蛋白对接,以评估其抗菌机制。叶绿酸的化学结构和标准SMILES格式取自PubChem。此外,使用ADMETlab 2.0对叶绿酸进行吸附、分布、代谢、排泄和毒性(ADMET)分析,以评估其药代动力学性质。

结果

琼脂孔扩散试验表明,所有分离株均对叶绿酸提取物敏感,抑菌圈范围为32至41毫米。叶绿酸将4个分离株的生物膜强度从强降低到中等,6个从强降低到弱。通过傅里叶变换红外光谱仪(FTIR)对细胞外聚合物(EPS)样品光谱中观察到的官能团数量减少来测量叶绿酸的抗生物膜潜力。叶绿酸显示与的AgI/II蛋白结合,这些蛋白参与粘附到牙齿表面并启动生物膜形成。ADMET分析表明,叶绿酸的安全性表现出良好的药代动力学性质。

结论

叶绿酸是一种有前景的针对形成生物膜的的抗菌和抗生物膜剂,其安全性概况突出了其作为治疗剂进一步研究的潜在适用性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a2b/11428499/5e751360927a/antibiotics-13-00899-g010.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a2b/11428499/5e751360927a/antibiotics-13-00899-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a2b/11428499/21bd8827d8f7/antibiotics-13-00899-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a2b/11428499/87b8c0976177/antibiotics-13-00899-g008.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a2b/11428499/5e751360927a/antibiotics-13-00899-g010.jpg

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