Article Per Year (5 Year)
p-Index From 2021 - 2026
2.808
P-Index
This Author published in this journals
All Journal E-Jurnal Medika Udayana Jurnal Kesehatan Andalas The Indonesian Biomedical Journal Paediatrica Indonesiana Jurnal Biodjati The Southeast Asian Journal of Midwifery Logista: Jurnal Ilmiah Pengabdian Kepada Masyarakat Journal of Midwifery Majalah Kedokteran Andalas JPK: Jurnal Proteksi Kesehatan Indian Journal of Forensic Medicine & Toxicology Narra J Jurnal Ilmu Kesehatan Indonesia (JIKSI) Jurnal Riset Ilmiah Jurnal Sains, Teknologi dan Kesehatan Kesmas: Jurnal Kesehatan Masyarakat Nasional (National Public Health Journal)
Eryati Darwin
Andalas University
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Computer Science & IT Earth & Planetary Sciences Economics, Econometrics & Finance Education Engineering Health Professions Immunology & microbiology Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health Social Sciences Other

Published : 46 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search
Journal : Narra J

 1 
Network pharmacology, molecular docking, and molecular dynamics analyses to explore the molecular mechanism of paclitaxel in atherosclerosis therapy Oktomalioputri, Biomechy; Afriwardi, Afriwardi; Darwin, Eryati; Rita, Rauza S.
Narra J Vol. 5 No. 2 (2025): August 2025
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narra.v5i2.2140

Abstract

Atherosclerosis is a chronic arterial disease and the leading cause of vascular death. Paclitaxel has long been recognized as an anticancer agent, but recent studies have shown that paclitaxel can also potentially reduce the progression of atherosclerosis. The aim of this study was to explore the molecular mechanism of paclitaxel as an atherosclerosis therapy using in silico study. Pharmacokinetic and pharmacodynamic analyses of paclitaxel were conducted using SwissADME, ProTox v3.0, and SCFbio websites. Cytoscape software was used to construct a network of protein-protein interactions, and the key proteins involved in paclitaxel-related atherosclerosis were identified, including AKT serine/threonine kinase 1 (AKT1), Jun N-terminal kinase (JNK), and Endothelin 1 (ET1). These key proteins were then subjected to molecular docking and molecular dynamic simulation using MOE and Yasara applications. Pharmacokinetic and pharmacodynamic analyses revealed that paclitaxel has good distribution, metabolism, and excretion properties. However, paclitaxel has shortcomings in absorption, toxicity, and water solubility. According to the results of molecular docking, paclitaxel showed consistent results as the most potential inhibitor of AKT1 (-9.59 kcal/mol), ET1 (-9.16 kcal/mol), JNK (-8.72 kcal/mol) when compared to the control ligands. Molecular dynamics simulations also confirmed the interaction stability between paclitaxel with AKT1, ET1, and JNK, with paclitaxel-AKT1 demonstrating the highest conformational stability (Carbon-α Root Mean Square Deviation <3.0 Å). Even though our in-silico results are promising, more experimental studies are required to confirm the efficacy of paclitaxel as an atherosclerosis therapy.
Co-Authors Abd. Rasyid Syamsuri Ade Nurhasanah Amir Ade Sukma Adnil E Nurdin, Adnil E Adnil Edwin Nurdin Adrial Adrial Afdal, . Afriwardi Afriwardi Aghnia Jolanda Putri Ahmad Aqeed Izreen Aidil Rahman Novesar Aisyah Marwa Bilqis Alvarino Alvarino Alvarino Amir, Arni Anami, Hannan Khairu Andani Eka Putra Ari Susanti Arina Widya Murni Arni Amir Arrahman, Najmi Shauqy Atika Putri Dewi Aziz Djamal Biomechy Oktomalioputri, Biomechy Daslina Daslina Deddy Satriya Putra Delmi Sulastri Detty Iryani Dwiyana Roselin Edison Edison Efrida Efrida Eka Fithra Elfi Eka Fithra Elfi, Eka Fithra Elliyanti, Aisyah Elliyanti Ellyza Nasrul Emi Nurjasmi Eny Yantri Erlina Rustam Erwani Erwani Etriyel Myh Eva Decroli Fadil Oenzil Farras, Umar Al Fatmi Nirmala Sari Febry Mutiariami Dahlan Finny Fitry Yani Hafni Bachtiar Hafni Bachtiar Hafni Bachtiar Bachtiar Hanifah Putri Dwiridal Harnavi Harun, Harnavi Harun Hartati Deri Manila Harun Harnavi Hasmiwati Hemilton, Suci Berlian Hendra Tarigan Sibero Herlambang Herman, Deddy Hirowati Ali Hirowati Ali, Hirowati Hotma Sauhur Hutagaol Husna Yetti Ilhami, Yose Ramda Irma Primawati Irvan Medison Iskandar Syah Iskandar Syah Jamsari Jamsari Joni, Meidrin Jusuf S. Effendi Khambri , Daan Melati Setia Ningsih Merisya Merisya Nabila Priscilla Putri Nani Dharmasetiawani Naqia, Masyithah Nasrul Zubir Prambudi Rukmono Putri Anindita Putri, Biomechy Oktomalio Putri, Nabila Priscilla Putri, Reza Yuneri Rahmi Junaida Rauza Sukma Rita Restu Susanti Rita, Rauza S. Rivai, M. Iqbal Rivai, Muhammad Iqbal Satya Wydya Yenny Sirazudeen, Nurhaslinda SRI LESTARI Suchitra, Avit Suharmanto Suharmanto Sulastri Sulastri Suswita, Rini Tofrizal Tofrizal Tofrizal Vera Pujani Violeta, Vonny Warsono Warsono Yan Wirasati Yan Wirasti Yaslinda Yaunin Yose Ramda Ilhami Yuniar Lestari Yusrawati Yusrawati Yusri Dianne Jurnalis