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All Journal Jurnal Farmasi Sains dan Komunitas Jurnal Kefarmasian Indonesia E-JURNAL AKUNTANSI
Gusti Ayu Intan Puspita Dewi
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Chemistry Economics, Econometrics & Finance Medicine & Pharmacology

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In Silico Study and Pharmacokinetics Prediction of ɛ-Viniferin Compound as Anticancer Drug Candidate Dewi, I Gusti Ayu Intan Puspita; Yuda, Putu Era Sandhi Kusuma; Rahadi, I Wayan Surya
Jurnal Kefarmasian Indonesia VOLUME 13, NUMBER 2, AUGUST 2023
Publisher : Pusat Penelitian dan Pengembangan Biomedis dan Teknologi Dasar Kesehatan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22435/jki.v13i2.6556

Abstract

The ɛ-Viniferin (ɛ-VNF) is a resveratrol dimer found in grapes (Vitis vinifera) which is thought to have anticarcinogenic activity. Breast cancer is one of the biggest causes of mortality in women. Current conventional chemotherapy can give negative side effects for cancer patients. Therefore, exploration to find an alternative modality is required. HER2 (Human Epidermal Growth Factor Receptor 2) and CDK6 (Cyclin Dependent Kinase 6) are two proteins that play an important role in breast cancer cell proliferation and differentiation. This study aimed to determine the potential of ɛ-VNF in inhibiting HER2 and CDK6 by molecular docking study. This research was conducted in silico using AutoDockTools v1.5.7 software. The results were validated with PyMOL and visualized in Discovery Studio Visualizer software to see the amino acid residues generated. Prediction of pharmacokinetics and toxicity profiles of the compound were performed with SwissADME and ADMETLab web tools. The results showed that ɛ-VNF was able to bind to HER2 and CDK6 receptors with binding energies of -10,45 kcal/mol and -7,56 kcal/mol, respectively. In silico pharmacokinetics and toxicity studies showed that ɛ-VNF fulfills Lipinski’s Rule of Five and has the potential to be used as a drug candidate. Overall, the results of this study indicate that ɛ-VNF has the potential to be further investigated and developed as an anticancer drug candidate through inhibition of HER2 and CDK6 receptors.
Pengungkapan Corporate Social Responsibility, Mekanisme Good Corporate Governance dan Nilai Perusahaan Gusti Ayu Intan Puspita Dewi; I Dewa Nyoman Badera
E-Jurnal Akuntansi Vol 31 No 11 (2021)
Publisher : Accounting Department, Economic and Business Faculty of Universitas Udayana in collaboration with the Association of Accounting Department of Indonesia, Bali Region

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24843/EJA.2021.v31.i11.p08

Abstract

This study aims to examine the effect of corporate social responsibility disclosure and good corporate governance mechanisms on firm value. Elements of the good corporate governance mechanism are proxied into audit committees, independent commissioners, institutional ownership, and managerial ownership. The tests were carried out on mining companies listed on the Indonesia Stock Exchange in 2016-2019. The sample was selected using purposive sampling technique. Data were analyzed using multiple linear regression analysis. The results show that the more companies increase the disclosure of corporate social responsibility, the impact on increasing the value of the company. Maximizing the function of the audit committee, institutional ownership, and managerial ownership can increase firm value. However, maximizing the function of independent commissioners has no effect on increasing firm value. Keywords : Corporate social responsibility; Good corporate governance; Firm Value.
Molecular Dynamics Simulations of Ethyl-4-[(α-L-rhamnosyloxy)-benzyl]carbamate from Moringa oleifera Lam. as a Dipeptidyl Peptidase-4 Inhibitor Dewi, I Gusti Ayu Intan Puspita; Istyastono, Enade Perdana
Jurnal Farmasi Sains dan Komunitas (Journal of Pharmaceutical Sciences and Community) Vol 22, No 2 (2025)
Publisher : Sanata Dharma University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24071/jpsc.009791

Abstract

Diabetes mellitus is a global health problem that requires innovative solutions. Ethyl-4-[(α-L-rhamnosyloxy)-benzyl]carbamate (ERBC) compound contained in Moringa oleifera Lam. showed potential as a potent dipeptidyl peptidase-4 (DPP4) inhibitor, with an IC50 value of 0.798 µM. Molecular dynamics simulations indicated that ERBC interacts specifically with the active site of DPP4, providing a mechanistic basis for its inhibitory activity. The research utilized the latest technique developed by previously published plug-ins. The molecular docking simulations were performed 100 times. Then, the poses were clustered to sample the probable poses which were then subjected as the inputs in molecular dynamics simulations. Molecular dynamics simulations have shown that the ERBC compound interacts with the DPP4 protein at two possible poses. PyPLIF HIPPOS analysis demonstrated that ERBC, during its second replication, interacts with Glu205 and Glu206, two key amino acids involved in DPP4 activity.
Co-Authors Dewa Nyoman Badera Enade Perdana Istyastono Putu Era Sandhi Kusuma Yuda Rahadi, I Wayan Surya