Antimicrobial potential of Chlorella sorokiniana on MRSA – An in vitro study and an in silico analysis on ClpP protease
Objective: Methicillin-resistant Staphylococcus aureus (MRSA) strains are a leading cause of communicable disease in community and nosocomial settings. They are responsible for high morbidity and mortality. Researchers currently pursue novel antimicrobials from natural sources against non-traditiona...
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| Format: | Article |
| Language: | English |
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Elsevier
2023-07-01
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| Series: | Journal of King Saud University: Science |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1018364723001301 |
| _version_ | 1797804642957000704 |
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| author | Charmaine Lloyd Malcolm Wai Kit Wong Li Jiao Sin Punitha Pandurangan Manickavasagam Shoba Gunasekaran Sim Ray Yue Felicia Min En Goh Rhea Thulasi Manoharan Hao Yuin Kong Jayme Zhen Yi Ang Hui Ping Kang Cheng Hao Tan Ernest Jun Ming Teo Xiu Qun Cui Saraniya Subramaniam Jasmine Hui Min Low Chloe Jia Ye Oon Isaac Pang Yi Khor Grace Zhi Qi Lim Nur Carmellia Bte Mia Kiong Jeanette Teo Jen Yan New A.S. Smiline Girija |
| author_facet | Charmaine Lloyd Malcolm Wai Kit Wong Li Jiao Sin Punitha Pandurangan Manickavasagam Shoba Gunasekaran Sim Ray Yue Felicia Min En Goh Rhea Thulasi Manoharan Hao Yuin Kong Jayme Zhen Yi Ang Hui Ping Kang Cheng Hao Tan Ernest Jun Ming Teo Xiu Qun Cui Saraniya Subramaniam Jasmine Hui Min Low Chloe Jia Ye Oon Isaac Pang Yi Khor Grace Zhi Qi Lim Nur Carmellia Bte Mia Kiong Jeanette Teo Jen Yan New A.S. Smiline Girija |
| author_sort | Charmaine Lloyd |
| collection | DOAJ |
| description | Objective: Methicillin-resistant Staphylococcus aureus (MRSA) strains are a leading cause of communicable disease in community and nosocomial settings. They are responsible for high morbidity and mortality. Researchers currently pursue novel antimicrobials from natural sources against non-traditional drug targets of staphylococci to ensure a pipeline of potent drugs, in the face of rising drug resistance. The focus of this study was to screen compounds from a freshwater isolate of Chlorella sorokiniana for anti-staphylococcal activity, using traditional microbiology, phytochemical analysis and bioinformatics approaches. Methods: Chlorella sorokiniana methanol extract was investigated for its antimicrobial potential on Staphylococcus aureus strains (ATCC and MRSA isolates) by Kirby Bauer disc diffusion, broth microdilution, cell cytotoxicity and thin layer chromatography-bioautography (TLC-BA). Two antimicrobial TLC-BA antimicrobial fractions (A and B) were subject to gas chromatography mass spectrometry (GCMS). The structures of 9 compounds representing GCMS peaks were tested in silico, for their pharmacokinetic properties and binding energy efficiency with the target, using Molinspiration tool and Autodock 4.2. Results: Mean zone diameter of inhibition of growth by CSME (20 mg) was 21 mm, MIC/MBC was 0.31/2.5 mg/L. GCMS analysis of TLC fraction-A revealed 31 phytochemicals, of which 2-pentanone,4-hydroxy-4-methyl- had the highest area % (65.61) and TLC fraction-B revealed 4 peaks of which pentadecanoic acid and 1-(+)-ascorbic acid 2,6-dihexadecanoate had the highest area % (45.57, 48.09).In silico analysis of 9 peak compounds on the target of interest showed that compound 2: 2-pentanone,4-hydroxy-4-methyl- and compound 7: 1,2 – benzene dicarboxylic acid, mono (2- ethylhexyl) ester, satisfied Lipinski’s rule of 5, and displayed the least binding energies −6.93 and −5.74 with ClpP protease, thus holding pharmaceutical potential, and supporting further investment into in vitro and in vivo studies. Conclusions: C. sorokiniana, a less studied microalga thus offers a promising natural resource for anti-MRSA phytochemicals, capable of targeting ClpP1 protease.(290 words) |
| first_indexed | 2024-03-13T05:39:13Z |
| format | Article |
| id | doaj.art-0b86573414594c519a328236c9776257 |
| institution | Directory Open Access Journal |
| issn | 1018-3647 |
| language | English |
| last_indexed | 2024-03-13T05:39:13Z |
| publishDate | 2023-07-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of King Saud University: Science |
| spelling | doaj.art-0b86573414594c519a328236c97762572023-06-14T04:32:48ZengElsevierJournal of King Saud University: Science1018-36472023-07-01355102668Antimicrobial potential of Chlorella sorokiniana on MRSA – An in vitro study and an in silico analysis on ClpP proteaseCharmaine Lloyd0Malcolm Wai Kit Wong1Li Jiao Sin2Punitha Pandurangan Manickavasagam3Shoba Gunasekaran4Sim Ray Yue5Felicia Min En Goh6Rhea Thulasi Manoharan7Hao Yuin Kong8Jayme Zhen Yi Ang9Hui Ping Kang10Cheng Hao Tan11Ernest Jun Ming Teo12Xiu Qun Cui13Saraniya Subramaniam14Jasmine Hui Min Low15Chloe Jia Ye Oon16Isaac Pang Yi Khor17Grace Zhi Qi Lim18Nur Carmellia Bte Mia Kiong19Jeanette Teo20Jen Yan New21A.S. Smiline Girija22School of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, Singapore; School of Health Sciences, Swinburne University of Technology, Hawthorn campus, Melbourne, VIC 3122, Australia; Corresponding authors at: School of Health Sciences, Swinburne University of Technology, Hawthorn campus, Melbourne, VIC 3122, Australia (Lloyd Charmaine) and Department of Microbiology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai 600077 (A.S. Smiline Girija).School of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeDepartment of Biotechnology, Dwaraka Doss Goverdhan Doss Vaishnav College (Autonomous), Chennai 600106, IndiaSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeNational University Hospital, Singapore 119074, SingaporeSchool of Life Sciences and Chemical Technology, Ngee Ann Polytechnic. 535, Clementi road, Singapore - 599489, SingaporeDepartment of Microbiology, Saveetha Dental College and Hospitals, Chennai 600077, India; Corresponding authors at: School of Health Sciences, Swinburne University of Technology, Hawthorn campus, Melbourne, VIC 3122, Australia (Lloyd Charmaine) and Department of Microbiology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai 600077 (A.S. Smiline Girija).Objective: Methicillin-resistant Staphylococcus aureus (MRSA) strains are a leading cause of communicable disease in community and nosocomial settings. They are responsible for high morbidity and mortality. Researchers currently pursue novel antimicrobials from natural sources against non-traditional drug targets of staphylococci to ensure a pipeline of potent drugs, in the face of rising drug resistance. The focus of this study was to screen compounds from a freshwater isolate of Chlorella sorokiniana for anti-staphylococcal activity, using traditional microbiology, phytochemical analysis and bioinformatics approaches. Methods: Chlorella sorokiniana methanol extract was investigated for its antimicrobial potential on Staphylococcus aureus strains (ATCC and MRSA isolates) by Kirby Bauer disc diffusion, broth microdilution, cell cytotoxicity and thin layer chromatography-bioautography (TLC-BA). Two antimicrobial TLC-BA antimicrobial fractions (A and B) were subject to gas chromatography mass spectrometry (GCMS). The structures of 9 compounds representing GCMS peaks were tested in silico, for their pharmacokinetic properties and binding energy efficiency with the target, using Molinspiration tool and Autodock 4.2. Results: Mean zone diameter of inhibition of growth by CSME (20 mg) was 21 mm, MIC/MBC was 0.31/2.5 mg/L. GCMS analysis of TLC fraction-A revealed 31 phytochemicals, of which 2-pentanone,4-hydroxy-4-methyl- had the highest area % (65.61) and TLC fraction-B revealed 4 peaks of which pentadecanoic acid and 1-(+)-ascorbic acid 2,6-dihexadecanoate had the highest area % (45.57, 48.09).In silico analysis of 9 peak compounds on the target of interest showed that compound 2: 2-pentanone,4-hydroxy-4-methyl- and compound 7: 1,2 – benzene dicarboxylic acid, mono (2- ethylhexyl) ester, satisfied Lipinski’s rule of 5, and displayed the least binding energies −6.93 and −5.74 with ClpP protease, thus holding pharmaceutical potential, and supporting further investment into in vitro and in vivo studies. Conclusions: C. sorokiniana, a less studied microalga thus offers a promising natural resource for anti-MRSA phytochemicals, capable of targeting ClpP1 protease.(290 words)http://www.sciencedirect.com/science/article/pii/S1018364723001301Chlorella sorokinianaMicroalgaeMRSAStaphylococciClpP1Zone of inhibition of growth |
| spellingShingle | Charmaine Lloyd Malcolm Wai Kit Wong Li Jiao Sin Punitha Pandurangan Manickavasagam Shoba Gunasekaran Sim Ray Yue Felicia Min En Goh Rhea Thulasi Manoharan Hao Yuin Kong Jayme Zhen Yi Ang Hui Ping Kang Cheng Hao Tan Ernest Jun Ming Teo Xiu Qun Cui Saraniya Subramaniam Jasmine Hui Min Low Chloe Jia Ye Oon Isaac Pang Yi Khor Grace Zhi Qi Lim Nur Carmellia Bte Mia Kiong Jeanette Teo Jen Yan New A.S. Smiline Girija Antimicrobial potential of Chlorella sorokiniana on MRSA – An in vitro study and an in silico analysis on ClpP protease Journal of King Saud University: Science Chlorella sorokiniana Microalgae MRSA Staphylococci ClpP1 Zone of inhibition of growth |
| title | Antimicrobial potential of Chlorella sorokiniana on MRSA – An in vitro study and an in silico analysis on ClpP protease |
| title_full | Antimicrobial potential of Chlorella sorokiniana on MRSA – An in vitro study and an in silico analysis on ClpP protease |
| title_fullStr | Antimicrobial potential of Chlorella sorokiniana on MRSA – An in vitro study and an in silico analysis on ClpP protease |
| title_full_unstemmed | Antimicrobial potential of Chlorella sorokiniana on MRSA – An in vitro study and an in silico analysis on ClpP protease |
| title_short | Antimicrobial potential of Chlorella sorokiniana on MRSA – An in vitro study and an in silico analysis on ClpP protease |
| title_sort | antimicrobial potential of chlorella sorokiniana on mrsa an in vitro study and an in silico analysis on clpp protease |
| topic | Chlorella sorokiniana Microalgae MRSA Staphylococci ClpP1 Zone of inhibition of growth |
| url | http://www.sciencedirect.com/science/article/pii/S1018364723001301 |
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