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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.
EDUKASI PEMANFAATAN TANAMAN SUNGKAI SEBAGAI TANAMAN OBAT KELUARGA DI NAGARI PADANG LAWEH KECAMATAN SUNGAI PUAR KABUPATEN AGAM Dillasamola, Dwisari; Nasif, Hansen; Alen, Yohannes; Almahdy, Almahdy; Oktomalioputri, Biomechy; Sari, Azzahra Ayu
BULETIN ILMIAH NAGARI MEMBANGUN Vol. 7 No. 3 (2024)
Publisher : LPPM (Institute for Research and Community Services) Universitas Andalas Padang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/bina.v7i3.633

Abstract

Indonesia is known for its abundant natural resources. Indonesian people have traditionally used herbal plants to maintain and overcome health problems. Traditional medicine is one of the alternative methods used to cure certain diseases. One of the plants that is often used as traditional medicine in Indonesia is Sungkai (Peronema canescens Jack.). The purpose of this activity is to provide education to the community about family medicinal plants (TOGA) which play an important role in maintaining health. With the survey conducted, it is hoped that this activity can have a good impact on the community. This activity was carried out in Padang Laweh, Sungai Pua District, Agam Regency, West Sumatra. Community service in the form of location surveys, education in raising awareness of the benefits of local herbal plants as the development of family medicinal plants (TOGA). Activities were carried out in August-September which were attended by 60 local people. The results of the education programme showed an increase in community understanding about the use of family medicinal plants (TOGA). The results obtained from the questionnaire data filled in by the community show that only 55% of the total respondents know the use of family medicinal plants (TOGA) can be used to improve body health. After education, the questionnaire data increased to 70%. So that the implementation of this education is considered to be able to increase community knowledge about plants that can be used as a medicine. With the implementation of this service, it can be concluded that this survey and education activity has succeeded in increasing the knowledge and utilisation of Sungkai Plants as medicinal plants by the community in Kenagarian Padang Laweh, Sungai Puar District, Agam Regency.
P PENINGKATAN DERAJAT KESEHATAN MASYARAKAT MELALUI RIVITALISASI MCK KOMUNAL RAMAH LINGKUNGAN DI DESA SALAK KOTA SAWAHLUNTO: Revitalisasi MCK Komunal Oktomalioputri, Biomechy; Noverial, Noverial; Dillasamola, Dwisari; Fahri, Idris Al
BULETIN ILMIAH NAGARI MEMBANGUN Vol. 8 No. 4 (2025)
Publisher : LPPM (Institute for Research and Community Services) Universitas Andalas Padang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/bina.v8i4.786

Abstract

Access to proper sanitation facilities is an essential factor in improving public health. In Salak Village, Sawahlunto, more than 20% of households lack adequate bathing, washing, and toilet (MCK) facilities. The existing communal MCK was severely damaged and repurposed, resulting in its disuse by residents. This condition has led to insufficient access to basic sanitation and low implementation of clean and healthy living behavior (PHBS). This program employed a Participatory Action Research (PAR) approach, emphasizing active community participation in every stage of the activity. The stages included field observation, problem identification, joint planning, implementation of environmentally friendly communal MCK revitalization, and PHBS education. Data were collected through interviews, focus group discussions (FGDs), and pre–post activity surveys involving 50 household heads as MCK users. After the revitalization, 88% of residents used the MCK regularly. A total of 76% of respondents demonstrated increased knowledge and practice of PHBS, particularly in handwashing habits and liquid waste management. The MCK now features a closed drainage system, rainwater harvesting tank, and natural lighting, making it more environmentally friendly. This program demonstrates a participatory revitalization model that not only improves infrastructure but also strengthens community empowerment in maintaining public facility sustainability. The PAR approach distinguishes this program from similar initiatives by fostering social ownership and shared responsibility. The success of this program has contributed to improved sanitation behavior, environmental health, and social cohesion within the community.