Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment
IntroductionFungal keratitis (FK) poses a severe threat to vision, potentially leading to blindness if not promptly addressed. Clitoria ternatea flower extracts have a history of use in Ayurvedic and Indian traditional medicines, particularly for treating eye ailments. This study investigates the an...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2024-01-01
|
| Series: | Frontiers in Microbiology |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fmicb.2024.1343988/full |
| _version_ | 1827375123759366144 |
|---|---|
| author | Poomany Arul Soundara Rajan Yolin Angel Palanisamy Jeyakumar Arul Raj Jasmin Suriya Aliyas Sheena Ponmurugan Karuppiah Govindasami Periyasami Antony Stalin Kasi Murugan |
| author_facet | Poomany Arul Soundara Rajan Yolin Angel Palanisamy Jeyakumar Arul Raj Jasmin Suriya Aliyas Sheena Ponmurugan Karuppiah Govindasami Periyasami Antony Stalin Kasi Murugan |
| author_sort | Poomany Arul Soundara Rajan Yolin Angel |
| collection | DOAJ |
| description | IntroductionFungal keratitis (FK) poses a severe threat to vision, potentially leading to blindness if not promptly addressed. Clitoria ternatea flower extracts have a history of use in Ayurvedic and Indian traditional medicines, particularly for treating eye ailments. This study investigates the antifungal and antibiofilm effects of Clitoria ternatea flower extracts on the FK clinical isolate Coniochaeta hoffmannii. Structural details and key compound identification were analysed through FTIR and GC-MS.MethodsThe minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) of Clitoria ternatea flower extracts were determined using broth dilution and well plate techniques. Biofilm inhibitory activity was assessed through microscopic evaluation, while anti-irritant and cytotoxic properties were evaluated using CAE-EI and MTT assays. Through GC-MS and FT-IR analysis the compounds dissolved in the extract and their functional group were studied, and their toxicity screening and pharmacokinetic prediction were conducted in silico. Subsequently, compounds with high corneal permeability were further identified, and molecular docking and simulation studies at 150 ns were used to investigate their interactions with fungal virulence factors and human inflammatory proteins.Results and DiscussionAt a concentration of 250 µg/mL, the Clitoria ternatea flower extract displayed effective biofilm inhibition. MIC and MFC values were determined as 500 and 1000 µg/mL, respectively. CAE-EI and MTT assays indicated no significant irritant and cytotoxic effects up to a concentration of 3 mg/mL. Compounds like 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione showed high corneal permeability with strong and stable interactions with fungal virulence cellobiose dehydrogenase, endo β 1,4 xylanase, and glucanase, as well as corneal inflammation-associated human TNF-α and Interleukin IL-1b protein targets. The findings indicate that extracts from C. ternatea flowers could be formulated for an effective and safe alternative for developing new topical FK therapeutics. |
| first_indexed | 2024-03-08T11:46:13Z |
| format | Article |
| id | doaj.art-244d6a9835d540a78fa6d8cec87b60c2 |
| institution | Directory Open Access Journal |
| issn | 1664-302X |
| language | English |
| last_indexed | 2024-03-08T11:46:13Z |
| publishDate | 2024-01-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Microbiology |
| spelling | doaj.art-244d6a9835d540a78fa6d8cec87b60c22024-01-24T18:14:17ZengFrontiers Media S.A.Frontiers in Microbiology1664-302X2024-01-011510.3389/fmicb.2024.13439881343988Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessmentPoomany Arul Soundara Rajan Yolin Angel0Palanisamy Jeyakumar1Arul Raj Jasmin Suriya2Aliyas Sheena3Ponmurugan Karuppiah4Govindasami Periyasami5Antony Stalin6Kasi Murugan7Biofilm and Bioprocess Laboratory, Department of Biotechnology, Manonmaniam Sundaranar University, Tirunelveli, Tamil Nadu, IndiaBiofilm and Bioprocess Laboratory, Department of Biotechnology, Manonmaniam Sundaranar University, Tirunelveli, Tamil Nadu, IndiaBiofilm and Bioprocess Laboratory, Department of Biotechnology, Manonmaniam Sundaranar University, Tirunelveli, Tamil Nadu, IndiaBiofilm and Bioprocess Laboratory, Department of Biotechnology, Manonmaniam Sundaranar University, Tirunelveli, Tamil Nadu, IndiaDepartment of Botany and Microbiology, College of Science, King Saud University, Riyadh, Saudi ArabiaDepartment of Chemistry, College of Science, King Saud University, Riyadh, Saudi ArabiaInstitute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China, Chengdu, ChinaBiofilm and Bioprocess Laboratory, Department of Biotechnology, Manonmaniam Sundaranar University, Tirunelveli, Tamil Nadu, IndiaIntroductionFungal keratitis (FK) poses a severe threat to vision, potentially leading to blindness if not promptly addressed. Clitoria ternatea flower extracts have a history of use in Ayurvedic and Indian traditional medicines, particularly for treating eye ailments. This study investigates the antifungal and antibiofilm effects of Clitoria ternatea flower extracts on the FK clinical isolate Coniochaeta hoffmannii. Structural details and key compound identification were analysed through FTIR and GC-MS.MethodsThe minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) of Clitoria ternatea flower extracts were determined using broth dilution and well plate techniques. Biofilm inhibitory activity was assessed through microscopic evaluation, while anti-irritant and cytotoxic properties were evaluated using CAE-EI and MTT assays. Through GC-MS and FT-IR analysis the compounds dissolved in the extract and their functional group were studied, and their toxicity screening and pharmacokinetic prediction were conducted in silico. Subsequently, compounds with high corneal permeability were further identified, and molecular docking and simulation studies at 150 ns were used to investigate their interactions with fungal virulence factors and human inflammatory proteins.Results and DiscussionAt a concentration of 250 µg/mL, the Clitoria ternatea flower extract displayed effective biofilm inhibition. MIC and MFC values were determined as 500 and 1000 µg/mL, respectively. CAE-EI and MTT assays indicated no significant irritant and cytotoxic effects up to a concentration of 3 mg/mL. Compounds like 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione showed high corneal permeability with strong and stable interactions with fungal virulence cellobiose dehydrogenase, endo β 1,4 xylanase, and glucanase, as well as corneal inflammation-associated human TNF-α and Interleukin IL-1b protein targets. The findings indicate that extracts from C. ternatea flowers could be formulated for an effective and safe alternative for developing new topical FK therapeutics.https://www.frontiersin.org/articles/10.3389/fmicb.2024.1343988/fullFungal keratitisC. ternateaphytocompoundspharmacokineticstopical drug |
| spellingShingle | Poomany Arul Soundara Rajan Yolin Angel Palanisamy Jeyakumar Arul Raj Jasmin Suriya Aliyas Sheena Ponmurugan Karuppiah Govindasami Periyasami Antony Stalin Kasi Murugan Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment Frontiers in Microbiology Fungal keratitis C. ternatea phytocompounds pharmacokinetics topical drug |
| title | Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment |
| title_full | Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment |
| title_fullStr | Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment |
| title_full_unstemmed | Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment |
| title_short | Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment |
| title_sort | topical antifungal keratitis therapeutic potential of clitoria ternatea linn flower extract phytochemical profiling in silico modelling and in vitro biological activity assessment |
| topic | Fungal keratitis C. ternatea phytocompounds pharmacokinetics topical drug |
| url | https://www.frontiersin.org/articles/10.3389/fmicb.2024.1343988/full |
| work_keys_str_mv | AT poomanyarulsoundararajanyolinangel topicalantifungalkeratitistherapeuticpotentialofclitoriaternatealinnflowerextractphytochemicalprofilinginsilicomodellingandinvitrobiologicalactivityassessment AT palanisamyjeyakumar topicalantifungalkeratitistherapeuticpotentialofclitoriaternatealinnflowerextractphytochemicalprofilinginsilicomodellingandinvitrobiologicalactivityassessment AT arulrajjasminsuriya topicalantifungalkeratitistherapeuticpotentialofclitoriaternatealinnflowerextractphytochemicalprofilinginsilicomodellingandinvitrobiologicalactivityassessment AT aliyassheena topicalantifungalkeratitistherapeuticpotentialofclitoriaternatealinnflowerextractphytochemicalprofilinginsilicomodellingandinvitrobiologicalactivityassessment AT ponmurugankaruppiah topicalantifungalkeratitistherapeuticpotentialofclitoriaternatealinnflowerextractphytochemicalprofilinginsilicomodellingandinvitrobiologicalactivityassessment AT govindasamiperiyasami topicalantifungalkeratitistherapeuticpotentialofclitoriaternatealinnflowerextractphytochemicalprofilinginsilicomodellingandinvitrobiologicalactivityassessment AT antonystalin topicalantifungalkeratitistherapeuticpotentialofclitoriaternatealinnflowerextractphytochemicalprofilinginsilicomodellingandinvitrobiologicalactivityassessment AT kasimurugan topicalantifungalkeratitistherapeuticpotentialofclitoriaternatealinnflowerextractphytochemicalprofilinginsilicomodellingandinvitrobiologicalactivityassessment |