Arie Ferdiansyah (2015) Studi In Silico Kandungan Senyawa Flavonoid dan Alkaloid Pada Daun Justicia gendarussa Burm. f. untuk Prediksi Aktivitas Emetik. Skripsi thesis, UNIVERSITAS AIRLANGGA.
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Abstract
Based on previous researches, Justicia gendarusa Burm. f hadbeen used for male contraception and anti-HIV. But, it had a minor side effects which are nausea and vomit. Justicia gendarusa Burm. f contains the derivative compounds of gendarusins, amino-benzyl alcohols and justidrusamides. The aim of this research was to investigate the prediction of absorption and activity the 13 compounds of Justicia gendarussa on vomiting receptors (5HT3 and Dopamine type 2) by in silico study. The prediction of absorption used the Lipinski’s rule of five and ACD/I-Lab online program, while the prediction of activity used docking simulation with Molegro Virtual Docker (MVD) program. Results showed from docking simulation using MVD, it can be identified by presence of interaction between vomiting receptors (PDB ID: 4PIR and 2YOU) and all compounds of Justicia gendarussa as well as lowest free energy of binding (rerank score). Gendarusin B had highest vomit activity on 5HT3 receptor and gendarusin E had highest vomit activity on Dopamin type 2 as well as smallest rerank score compared to all compounds of Justicia gendarussa by in silico study.
| Item Type: | Thesis (Skripsi) | |||||||||
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| Additional Information: | KKB KK-2 FF.FT.25/15 Fer s | |||||||||
| Uncontrolled Keywords: | in silico, Justicia gendarussa, Molegro Virtual Docker,Vomiting receptor, Gendarusin, Amino-benzyl alcohols,Justidrusamides | |||||||||
| Subjects: | Q Science > QD Chemistry > QD1-999 Chemistry Q Science > QK Botany > QK1-989 Botany |
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| Divisions: | 05. Fakultas Farmasi > Farmakognosi Fitokimia | |||||||||
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| Depositing User: | Nn Dhani Karolyn Putri | |||||||||
| Date Deposited: | 23 Feb 2016 12:00 | |||||||||
| Last Modified: | 24 Feb 2020 05:22 | |||||||||
| URI: | http://repository.unair.ac.id/id/eprint/9305 | |||||||||
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