Article Per Year (5 Year)
p-Index From 2020 - 2025
0.444
P-Index
This Author published in this journals
All Journal Indonesian Journal of Pharmaceutical Science and Technology Jurnal Biologi Tropis
Selvira Anandia Intan Maulidya
Unknown Affiliation
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Computer Science & IT Immunology & microbiology Medicine & Pharmacology

Published : 2 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 2 Documents
Search

 1 
Virtual Screening of Flavonoid Compounds as A Main Protease Inhibitor for Anti-Sars-Cov-2 Candidates Saeful Amin; Fadhilah Utami; Selvira Anandia Intan Maulidya
Indonesian Journal of Pharmaceutical Science and Technology Vol 9, No. 3, 2022
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v9i3.33682

Abstract

In 2019, the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) was discovered in Hubei Province, China. After one year, no drug therapy has been approved, necessitating the development of SARS-CoV-2 drugs. To screen new drug candidates from natural product databases, the in-silico method, a drug discovery process based on computer simulations, can be utilized. Flavonoid is one of the most common compounds found in nature. They are secondary metabolites compounds contains phenolic functional group that can be virtually screened by predicting antiviral activity, drug likeness prediction, pharmacokinetic prediction, toxicity prediction, and molecular docking simulation Virtual screening is used in molecular docking simulations to design drugs based on activity prediction, compound similarity with oral drugs based on similar physical properties, pharmacokinetic profiles that include absorption and distribution, toxicity, and interactions of compounds with targets. The main protease used by target receptors is an enzyme that is important in determining SARS-CoV-2 survival. The structure of SARS-CoV-2 main protease code ID PDB 5RL4, 5R7Y and 7BUY is used in molecular docking simulation. The results of virtual screening of 80 flavonoid compounds showed that there are two most potential compounds, namely naringin and rutin that have lower ∆G values than the three native ligands, predictions of toxicity and good activity and a fairly good distribution profile.
Computational Toxicology: Endocrine Disrupting Effects of Lavender and Tea Tree Metabolites Selvira Anandia Intan Maulidya; Baiq Risky Wahyu Lisnasari; Indra Purnomo; Tuhfatul Ulya; Wayan Cintya Ganes Budastra
Jurnal Biologi Tropis Vol. 25 No. 2 (2025): April-Juni
Publisher : Biology Education Study Program, Faculty of Teacher Training and Education, University of Mataram, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jbt.v25i2.9143

Abstract

While Lavandula angustifolia (lavender) and Melaleuca alternifolia (tea tree) are widely utilized in diverse products for their rich bioactive secondary metabolites, emerging evidence now fules concerns about their potential endocrine-disrupting activities. This study aimed to investigate the endocrine-disrupting potential of selected secondary metabolites from lavender and tea tree via an in silico molecular docking approach. Molecular interactions were evaluated against 18 human endrocine receptors using Endocrine Disruptome in silico tools and binding affinities were analyzed to assess potential toxicity. Docking analysis revealed that all lavender anda tea tree secondary metabolites have the potential to interact as androgen receptor antagonists, exhibiting minor, medium, and high probabilities of such activity. Additionally, more than 20% of lavender secondary metabolites and 10% of tea tree secondary metabolites are predicted to be capable of binding to the mineralocorticoid receptor, as well as thyroid receptors alpha and beta. These findings suggest a plausible mechanism by which these phytochemicals could exert endocrine-disruptor effects. In conclusion, the study provides preliminary computational evidence supporting the hypothesis that certain lavender and tea tree sceondary metabolites may act as endocrine-disrupting agents. Further in vitro and in vivo studies are warranted to assess their toxicological implications for long-term human exposure.
Co-Authors Baiq Risky Wahyu Lisnasari Fadhilah Utami Indra Purnomo Saeful Amin Tuhfatul Ulya Wayan Cintya Ganes Budastra