Status : Verified
| Personal Name | Cordero, Allen Mathew F. |
|---|---|
| Resource Title | In Silico Screening and Identification of Phytochemical Inhibitors from Philippine Medicinal Plants Against Dengue Virus (DENV) Proteins (NS2b–NS3 Protease, NS5 Methyltransferase, and Envelope Protein) |
| Date Issued | 24 June 2024 |
| Abstract | This study investigates the antiviral potential of phytochemicals from Philippine medicinal plants against key dengue virus proteins—NS2b–NS3 protease, NS5 methyltransferase (Mtase), and the envelope (E) protein—through virtual screening, ADMET profiling, molecular docking, and molecular dynamics simulations. Out of 2,944 screened compounds, 1,265 were identified as pharmacologically viable. Several phytochemicals demonstrated strong binding affinities surpassing known reference ligands, suggesting their potential as dengue virus inhibitors. Notably, many of these compounds are derived from plants traditionally used in herbal medicine, highlighting the value of integrating ethnobotanical knowledge with computational drug discovery methods. |
| Degree Course | PhD Chemical Engineering |
| Language | English |
| Keyword | molecular modeling, computer-aided drug design, dengue virus, NS2b–NS3 protease, NS5 methyltransferase, envelope protein, phytochemical, molecular dynamics |
| Material Type | Thesis/Dissertation |
Preliminary Pages
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Category : P - Author wishes to publish the work personally.
Access Permission : Limited Access