Antibacterial and Antibiofilm Potential of Chlorophyllin Against <i>Streptococcus mutans</i> In Vitro and In Silico

Background: <i>Streptococcus mutans</i> 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...

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Main Authors: Seemrose Khan, Ihtisham Ul Haq, Imran Ali, Abdul Rehman, Mazen Almehmadi, Meshari A. Alsuwat, Tariq Zaman, Muhammad Qasim
Format: Article
Language:English
Published: MDPI AG 2024-09-01
Series:Antibiotics
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Online Access:https://www.mdpi.com/2079-6382/13/9/899
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author Seemrose Khan
Ihtisham Ul Haq
Imran Ali
Abdul Rehman
Mazen Almehmadi
Meshari A. Alsuwat
Tariq Zaman
Muhammad Qasim
author_facet Seemrose Khan
Ihtisham Ul Haq
Imran Ali
Abdul Rehman
Mazen Almehmadi
Meshari A. Alsuwat
Tariq Zaman
Muhammad Qasim
author_sort Seemrose Khan
collection DOAJ
description Background: <i>Streptococcus mutans</i> 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 <i>Spinacia oleracea</i> was evaluated against biofilm-forming <i>S. mutans</i> via in vitro and in silico studies. Methodology: The antimicrobial activity of chlorophyllin extract against <i>S. mutans</i> isolates was tested using the agar well diffusion method. Chlorophyllin extract was also tested against biofilm-forming isolates of <i>S. mutans</i>. Chlorophyllin was docked with the antigen I/II (AgI/II) protein of <i>S. mutans</i> 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 <i>S. mutans</i> 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 <i>S. mutans</i>, 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 <i>S. mutans</i>, and its safety profile highlights its potential suitability for further investigation as a therapeutic agent.
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spelling doaj-art-d831e0d8e6e047ffbc6353bcf119f89d2025-08-20T01:55:57ZengMDPI AGAntibiotics2079-63822024-09-0113989910.3390/antibiotics13090899Antibacterial and Antibiofilm Potential of Chlorophyllin Against <i>Streptococcus mutans</i> In Vitro and In SilicoSeemrose Khan0Ihtisham Ul Haq1Imran Ali2Abdul Rehman3Mazen Almehmadi4Meshari A. Alsuwat5Tariq Zaman6Muhammad Qasim7Department of Microbiology, Kohat University of Science & Technology, Kohat 26000, PakistanDepartment of Physical Chemistry and Technology of Polymers, Silesian University of Technology, 44-100 Gliwice, PolandDepartment of Botany, Kohat University of Science & Technology, Kohat 26000, PakistanDepartment of Microbiology, Kohat University of Science & Technology, Kohat 26000, PakistanDepartment of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taif University, P.O. Box 11099 Taif, Saudi ArabiaDepartment of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taif University, P.O. Box 11099 Taif, Saudi ArabiaDepartment of Pediatrics & Human Development, College of Human Medicine, Michigan State University, East Lansing, MI 48824, USADepartment of Microbiology, Kohat University of Science & Technology, Kohat 26000, PakistanBackground: <i>Streptococcus mutans</i> 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 <i>Spinacia oleracea</i> was evaluated against biofilm-forming <i>S. mutans</i> via in vitro and in silico studies. Methodology: The antimicrobial activity of chlorophyllin extract against <i>S. mutans</i> isolates was tested using the agar well diffusion method. Chlorophyllin extract was also tested against biofilm-forming isolates of <i>S. mutans</i>. Chlorophyllin was docked with the antigen I/II (AgI/II) protein of <i>S. mutans</i> 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 <i>S. mutans</i> 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 <i>S. mutans</i>, 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 <i>S. mutans</i>, and its safety profile highlights its potential suitability for further investigation as a therapeutic agent.https://www.mdpi.com/2079-6382/13/9/899dental caries<i>Streptococcus mutans</i>biofilmschlorophyllinantibacterial activityproteins docking
spellingShingle Seemrose Khan
Ihtisham Ul Haq
Imran Ali
Abdul Rehman
Mazen Almehmadi
Meshari A. Alsuwat
Tariq Zaman
Muhammad Qasim
Antibacterial and Antibiofilm Potential of Chlorophyllin Against <i>Streptococcus mutans</i> In Vitro and In Silico
Antibiotics
dental caries
<i>Streptococcus mutans</i>
biofilms
chlorophyllin
antibacterial activity
proteins docking
title Antibacterial and Antibiofilm Potential of Chlorophyllin Against <i>Streptococcus mutans</i> In Vitro and In Silico
title_full Antibacterial and Antibiofilm Potential of Chlorophyllin Against <i>Streptococcus mutans</i> In Vitro and In Silico
title_fullStr Antibacterial and Antibiofilm Potential of Chlorophyllin Against <i>Streptococcus mutans</i> In Vitro and In Silico
title_full_unstemmed Antibacterial and Antibiofilm Potential of Chlorophyllin Against <i>Streptococcus mutans</i> In Vitro and In Silico
title_short Antibacterial and Antibiofilm Potential of Chlorophyllin Against <i>Streptococcus mutans</i> In Vitro and In Silico
title_sort antibacterial and antibiofilm potential of chlorophyllin against i streptococcus mutans i in vitro and in silico
topic dental caries
<i>Streptococcus mutans</i>
biofilms
chlorophyllin
antibacterial activity
proteins docking
url https://www.mdpi.com/2079-6382/13/9/899
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