In Vitro And In Silico Studies On Selected Malaysia Culinary Plants Against Dengue Ns2b-Ns3 Protease
| dc.contributor.author | Yong, Kai Sing | |
| dc.date.accessioned | 2016-12-01T02:01:17Z | |
| dc.date.available | 2016-12-01T02:01:17Z | |
| dc.date.issued | 2016-04 | |
| dc.description.abstract | In Malaysia, dengue infection was reported more than 100,000 cases in year 2015. To date there is no marketed drug candidate available for Dengue disease. Therefore, drug discovery for dengue is important to find a suitable drug candidate. This study involves characterization of chemical constituent, in vitro experiment and in silico simulation for anti-dengue from culinary plants in Malaysia. In this study, turmeric, lemon grass, curry leaves, sweet basil, screw pine, Vietnamese mint and ginger were screened for bioactivity against dengue NS2B-NS3 protease. The rational of choosing these native culinary plants because they show interesting result in virtual screening in previous study. Out of seven plants, Vietnamese mint and curry leaves were found highly active in inhibiting dengue NS2B-NS3 protease with 93% and 88% inhibition, respectively. Compound F2_1 (IC50 of 17.4 μM) isolated from Vietnamese mint which is similar to be Vanicoside A showed better inhibition than reference Panduratin A (IC50 of 94.60μM) while Bismahanine (IC50 of 93.1 μM) isolated form curry leaves has similar inhibition activity with Panduratin A. From docking result, compound F2_1 formed polar interaction with amino acid residues of protease crystal structure, 3U1I while Bismahanine has hydrogen bond interactions with the catalytic triad (His51, Asp75, Ser135) of protease which is more preferable. However, F2_1 and Bismahanine tend to aggregate at micromolar concentration and the IC50 increased to 319.4 μM and 327.3 μM respectively in the detergent-based assay. Future studies especially on the chemical modification of the structure of Bismahanine could be carried out in order to discover more potent dengue protease inhibitors. | en_US |
| dc.identifier.uri | http://hdl.handle.net/123456789/3238 | |
| dc.subject | In vitro experiment and in silico simulation for anti-dengue | en_US |
| dc.subject | from culinary plants in Malaysia. | en_US |
| dc.title | In Vitro And In Silico Studies On Selected Malaysia Culinary Plants Against Dengue Ns2b-Ns3 Protease | en_US |
| dc.type | Thesis | en_US |
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