Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L.
Members of genus Pteris have their established role in the traditional herbal medicine system. In the pursuit to identify its biologically active constituents, the specie Pteris cretica L. (P. cretica) was selected for the bioassay-guided isolation. Two new maleates (F9 and CB18) were identified fro...
| Principais autores: | , , , , , , , , , , |
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| Formato: | Artigo |
| Publicado em: |
MDPI
2019
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| Assuntos: |
| _version_ | 1825722082884845568 |
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| author | Saleem, Farooq Mehmood, Rashad Mehar, Saima Khan, Muhammad Tahir Javed Khan, Zaheer-ud-Din Ashraf, Muhammad Ali, Muhammad Sajjad Abdullah, Iskandar Froeyen, Matheus Mirza, Muhammad Usman Ahmad, Sarfraz |
| author_facet | Saleem, Farooq Mehmood, Rashad Mehar, Saima Khan, Muhammad Tahir Javed Khan, Zaheer-ud-Din Ashraf, Muhammad Ali, Muhammad Sajjad Abdullah, Iskandar Froeyen, Matheus Mirza, Muhammad Usman Ahmad, Sarfraz |
| author_sort | Saleem, Farooq |
| collection | UM |
| description | Members of genus Pteris have their established role in the traditional herbal medicine system. In the pursuit to identify its biologically active constituents, the specie Pteris cretica L. (P. cretica) was selected for the bioassay-guided isolation. Two new maleates (F9 and CB18) were identified from the chloroform extract and the structures of the isolates were elucidated through their spectroscopic data. The putative targets, that potentially interact with both of these isolates, were identified through reverse docking by using in silico tools PharmMapper and ReverseScreen3D. On the basis of reverse docking results, both isolates were screened for their antioxidant, acetylcholinesterase (AChE) inhibition, α-glucosidase (GluE) inhibition and antibacterial activities. Both isolates depicted moderate potential for the selected activities. Furthermore, docking studies of both isolates were also studied to investigate the binding mode with respective targets followed by molecular dynamics simulations and binding free energies. Thereby, the current study embodies the poly-pharmacological potential of P. cretica. © 2019 by the authors. Licensee MDPI, Basel, Switzerland. |
| first_indexed | 2024-03-06T06:00:13Z |
| format | Article |
| id | um.eprints-23565 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T06:00:13Z |
| publishDate | 2019 |
| publisher | MDPI |
| record_format | dspace |
| spelling | um.eprints-235652020-01-24T01:43:18Z http://eprints.um.edu.my/23565/ Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L. Saleem, Farooq Mehmood, Rashad Mehar, Saima Khan, Muhammad Tahir Javed Khan, Zaheer-ud-Din Ashraf, Muhammad Ali, Muhammad Sajjad Abdullah, Iskandar Froeyen, Matheus Mirza, Muhammad Usman Ahmad, Sarfraz Q Science (General) QD Chemistry RS Pharmacy and materia medica Members of genus Pteris have their established role in the traditional herbal medicine system. In the pursuit to identify its biologically active constituents, the specie Pteris cretica L. (P. cretica) was selected for the bioassay-guided isolation. Two new maleates (F9 and CB18) were identified from the chloroform extract and the structures of the isolates were elucidated through their spectroscopic data. The putative targets, that potentially interact with both of these isolates, were identified through reverse docking by using in silico tools PharmMapper and ReverseScreen3D. On the basis of reverse docking results, both isolates were screened for their antioxidant, acetylcholinesterase (AChE) inhibition, α-glucosidase (GluE) inhibition and antibacterial activities. Both isolates depicted moderate potential for the selected activities. Furthermore, docking studies of both isolates were also studied to investigate the binding mode with respective targets followed by molecular dynamics simulations and binding free energies. Thereby, the current study embodies the poly-pharmacological potential of P. cretica. © 2019 by the authors. Licensee MDPI, Basel, Switzerland. MDPI 2019 Article PeerReviewed Saleem, Farooq and Mehmood, Rashad and Mehar, Saima and Khan, Muhammad Tahir Javed and Khan, Zaheer-ud-Din and Ashraf, Muhammad and Ali, Muhammad Sajjad and Abdullah, Iskandar and Froeyen, Matheus and Mirza, Muhammad Usman and Ahmad, Sarfraz (2019) Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L. Antioxidants, 8 (7). p. 231. ISSN 2076-3921, DOI https://doi.org/10.3390/antiox8070231 <https://doi.org/10.3390/antiox8070231>. https://doi.org/10.3390/antiox8070231 doi:10.3390/antiox8070231 |
| spellingShingle | Q Science (General) QD Chemistry RS Pharmacy and materia medica Saleem, Farooq Mehmood, Rashad Mehar, Saima Khan, Muhammad Tahir Javed Khan, Zaheer-ud-Din Ashraf, Muhammad Ali, Muhammad Sajjad Abdullah, Iskandar Froeyen, Matheus Mirza, Muhammad Usman Ahmad, Sarfraz Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L. |
| title | Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L. |
| title_full | Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L. |
| title_fullStr | Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L. |
| title_full_unstemmed | Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L. |
| title_short | Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L. |
| title_sort | bioassay directed isolation biological evaluation and in silico studies of new isolates from pteris cretica l |
| topic | Q Science (General) QD Chemistry RS Pharmacy and materia medica |
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