Roney, Miah and Wong, Kelvin Khai Voon and Huq, A. K. M. Moyeenul and Rullah, Kamal and Saiful Nizam, Tajuddin and Hazrulrizawati, Hamid and Mohd Fadhlizil Fasihi, Mohd Aluwi (2022) Pharmacophore-based molecular docking and in-silico study of novel usnic acid derivatives as avian influenza A (H7N9) inhibitor. Malaysian Journal Of Biochemistry & Molecular Biology, SI 2022 (1). pp. 37-46. ISSN 2600-9005. (Published)
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Abstract
The Avian Influenza virus is not only dangerous to birds, but it is also dangerous to people and other animals. It is a serious danger to poultry worldwide with the capacity to spread to other species, including people; consequently, more efficient medicines are required to treat this virus. This study examined the binding effectiveness of twentyone (21) Usnic acid derivatives out of 340 generated via pharmacophore filtering with AIV A (H7N9) utilising an in-silico technique. The docking simulation to AIV A obtained five compounds with a high affinity to the target protein. The ADMET and druggability prediction produced two lead molecules that were then submitted to Cytochrome (CYP) P450 enzyme screening to generate the best molecule, labelled as compound 5. According to the findings, compound 5 might be employed as a lead inhibitor in developing an anti-AIV medication
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Usnic acid; Pharmacophore; Molecular docking; Avian Influenza A |
| Subjects: | Q Science > Q Science (General) R Medicine > RA Public aspects of medicine R Medicine > RM Therapeutics. Pharmacology |
| Faculty/Division: | Faculty of Industrial Sciences And Technology Institute of Postgraduate Studies Centre for Bioaromatic Research (Bioaromatic Centre) |
| Depositing User: | Mrs Norsaini Abdul Samat |
| Date Deposited: | 01 Aug 2023 03:24 |
| Last Modified: | 01 Aug 2023 03:24 |
| URI: | http://umpir.ump.edu.my/id/eprint/38181 |
| Download Statistic: | View Download Statistics |
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