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In Silico Evaluation of the Glioma Activity of Reported Compounds from the Extract Rhodomyrtus tomentosa (Aiton) Hassk.) Marwati, Marwati; Alam, Gemini; Yulianty, Risfah; Sami, Fitriyanti J.; Nur, Syamsu; Nursamsiar; Rifai, Yusnita
Jurnal Penelitian Pendidikan IPA Vol 11 No 6 (2025): June
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v11i6.10809

Abstract

The plant Rhodomyrtus tomentosa is empirically treated and can be developed in vitro as an anticancer. To see the interaction and evaluate the compound of Rhodomyrtus tomentosa as glioma inhibition, especially on Smoothened receptor by using the in silico. 44 compounds from Rhodomyrtus tomentosa leaf plants obtained from previous studies and native ligands and target proteins were generated through PubChem and RSCB protein database. In silico analysis was performed using various, absorption, distribution, toxicity prediction, and molecular tethering of compounds to smoothened (SMO) target proteins. Drug similarity showed that most of the compounds conformed to Lipinski's rule. The absorption and Distribution analysis of the compounds for each parameter gave different pharmacokinetic profiles according to the physicochemical properties of the compounds. Quercetin, β-sitosterol, and Quercetrin are prediction mutagenic, and Rhodomyrtoxin C and β-amyrenonol compounds are What follows is a prediction genotoxic carcinogenic. The results of docking analysis showed that the leaf compounds of Rhodomyrtus tomentosa leaf compounds that can interact with SMO receptors with the best interaction shown by compound 13 (Rhodomyrtoxin C) with a free bond energy of -9.29 kcal/mol, Quercitrin of-12.72 kcal/mol, 2-(4-hydroxyphenyl)acetic acid -14.24 kcal/mol and β-Sitosterol of -11,61 kcal/mol and has the same key amino acid residues as the native ligand LY2940680 (4-fluro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazine-1yl]piperidin-4-yl} 2 (trifluoromethyl) benzamide )namely Arg400, Asp473 and Glu518. His470, and Asn521. Specific compounds from Rhodomyrtus tomentosa are predicted to be developed as candidates for glioma inhibitors predicted to have the same mechanism of action as Smoothened inhibitors and further research is needed.
Effect of Solvent Polarity on Antioxidant and Antidiabetic Activity of Kesambi Leaf Extract (Schleichera oleosa L.) Nursamsiar, Nursamsiar; Marwati, Marwati; Sami, Fitriyanti J.; Nur, Syamsu; Kasmawati, Henny; Asnawi, Aiyi
Jurnal Penelitian Pendidikan IPA Vol 11 No 1 (2025): January
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v11i1.9439

Abstract

Kesambi (Schleichera Oleosa (L.) is one of the beneficial plants in Indonesia which contains fenolic and flavonoids that exhibit antioxidant properties. The presence of antioxidants in plants could be associated with antidiabetic activity of these plants. This research was conducted to determine the antioxidant and antidiabetic activities of n-hexane, ethyl acetate, acetone and methanol extracts from Kesambi leaves. Extraction was carried out by the ultrasonic assisted extraction (UAE) method. The antioxidant activity was determined quantitatively by DPPH and ABTS method, while the antidiabetic activity was evaluated by using α-glukosidase inhibition method. The IC50 values from the determination of antioxidant and antidiabetic activities were obtained by using Microplate reader at the maximum wavelength. Results of the antioxidant determination DPPH method showed that IC50 values of n-hexane, ethyl acetate, acetone and methanol extracts were 414.1993; 57.7862; 6.33 dan 13.4558 µg/mL, respectively. And for ABTS method showed 162.679; 22.6684; 10.7975; dan 146.869 µg/mL. This indicates the acetone and methanol extracts give the best results in antioxidant activity. Meanwhile, IC50 values of in vitro antidiabetic activity of n-hexane, ethyl acetate, acetone and methanol extracts were 99.3235; 272.8723; 1.6799; dan 24.4653 µg/mL, respectively. Acetone and methanol extracts of kesambi leaf give the best results in antidiabetic activity.