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Molecular Simulation for Screening Bioactive Compounds as Potential Candidate for Alzheimer’s Disease
Alzheimer’s disease is one of the neurodegenerative diseases that afflict the elderly. One of the symptoms is a loss cognitive ability due to neuronal death caused by amyloid plaque accumulation. Alzheimer’s...Immanuelle Kezia
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Linda Erlina
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Ninik Mudjihartini
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Fadilah Fadilah
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In Silico Study of the Potential of Bioactive Compounds of Theobroma cacao as Antigingivitis Agents
This in silico study evaluated the antigingivitis potential of bioactive compounds from Theobroma cacao against matrix metalloproteinase-8 (MMP-8) (PDB ID: 5T35) using molecular docking and ADMET prediction....Amalia Putri Lubis
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Hidayanti Hidayanti
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Rahadian Zainul
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Iffat Syafiqoh Afif
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Siti Amiroch
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Mohammad Jamhuri
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Mohammad Hamim Zajuli Al Faroby
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Ligand Based Pharmacophore Modelling, Virtual Screening, Molecular Docking, and ADMETOX of Natural Compounds as Antibiotic Candidates against Urinary Tract Infections (UTI)
The use of antibiotic drugs requires close supervision that patients take antibiotics according to the rules. Irregular antibiotic use led to increased ADR cases (Antibiotic Drug-resistant). ADR is when an individual...Windy Dwininda
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Linda Erlina
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Rafika Indah Paramita
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Fadillah Fadillah
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Surya Dwira
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Jaka Fajar Fatriansyah
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Molecular Insights into Acne Vulgaris: A Multi-Omics Approach Towards Precision Medicine
Acne vulgaris is a common dermatological disorder that significantly impacts quality of life, yet its complex pathogenesis remains incompletely understood, contributing to the variability in clinical presentation and...Hartanti Dian Ikawati
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Fadilah
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Fitria Agustina
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Exploring the Chemopreventive Potential of Soybean Phytochemicals Targeting BRCA1 Protein: A Molecular Docking Study
Breast cancer remains a significant cause of cancer-related mortality among women globally, highlighting the importance for preventive strategies targeting early molecular events. BRCA1 plays a critical role in...Regina Liviandari
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Ari Estuningtyas
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Kusmardi
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Linda Erlina
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Integrative Transcriptomic and Docking Analysis of Coffee Bioactives Targeting CCNA2, AKT1, and CDK2 in TNBC
Triple-negative breast cancer (TNBC) is an aggressive breast cancer subtype characterized by high proliferation rates, poor prognosis, and limited therapeutic options. Coffee-derived bioactive compounds have...Ida Neni Haryanti
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Linda Erlina
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Ade Arsianti
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Aryo Tedjo
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Molecular Viability Assay: Improving Leprosy Diagnosis beyond Current Gold Standard
Neglected tropical diseases are still part of the health problems faced by the world. One of the neglected tropical diseases that has not yet reached 100% elimination is leprosy. Mycobacterium leprae is the...Clara Imaniar
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Ibnu Agus Ariyanto
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Yeva Rosana
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Computational Calculation and Molecular Docking of Thymol and O-Benzoyl Thymol as Inhibitor TYK2 Enzyme
Thymol is the active ingredient in plants from Thymus vulgaris (thymus). The calculations and molecular docking have been done computationally for the thymol and o-benzoyl thymol. This computational calculation aims...Mirella Fonda Maahury
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Muhammad Daswar A. Baharudin
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Rahadian Zainul
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Ahmad Khudzairi Khalid
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Vikash Jakmola
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Maksim Rebezov
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Gastrointestinal Dysfunction after Traumatic Brain Injury: Mechanisms Linking The Gut, Inflammation, and the HPA Axis
Traumatic brain injury (TBI) is a major global health problem that often leads to systemic complications beyond neurological damage, notably gastrointestinal (GI) dysfunction. The mechanisms linking TBI to GI...Dwi Hastuti
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Sri Widia A Jusman
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Reni Paramita
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Molecular Pathway of Phytochemicals in Preventing Sarcopenia
Sarcopenia, the age-related decline in muscle mass and function, poses a significant global health challenge. This systematic review synthesizes evidence from preclinical studies published between 2020 and 2025 to...Desy Nofita Sari
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Roman Ardian Goenarjo
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Imelda Rosalyn Sianipar
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Molecular Docking of ftsZ Protein of Staphylococcus aureus to Indonesian Herbal Compound
Microbial resistance to antibiotics is a growing global problem, and new antibacterial agents are needed to overcome this. One of the bacteria with a high level of resistance is Staphylococcus aureus . Herbal...Maria Diyan Monica
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Linda Erlina
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Fadilah Fadilah
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Rafika Indah Paramita
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In Silico Evaluation of Bisbenzylisoquinoline Compounds from Stephania sp. as EGFR Inhibitors for Triple-Negative Breast Cancer
Triple-negative breast cancer (TNBC) represents a highly aggressive breast malignancy subtype characterized by constrained therapeutic alternatives and poor clinical outcomes. Since Epidermal Growth Factor Receptor...Amanda Triastuti Amanda
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Denny Satria
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In Silico Evaluation of Quinoline Derivatives as PfLDH Inhibitors through Molecular Docking, Lipinski’s Rule, and ADMET Profiling
This study aimed to evaluate quinoline-spiro derivatives as potential inhibitors of P. falciparum lactate dehydrogenase (PfLDH), a key enzyme involved in parasite energy metabolism, using an in silico approach....Livia Putrima Rijas
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Rahadian Zainul
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Meksim Rebezov
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Vikash Jakhmola
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Tarek Elkhooly
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Pharmacophore Modeling, Molecular Docking, and ADMET Approach for Identification of Anti-Cancer Agents Targeting the C-Jun N-Terminal Kinase (JNK) Protein
One of the most prevalent cancers in Indonesia is breast cancer, based on Indonesia's pathological-based registration.   Breast cancer is a complex, heterogeneous disease classified into...Nur Ayu Ramadanti
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Linda Erlina
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Rafika Indah Paramita
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Aryo Tedjo
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Fadillah Fadillah
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Surya Dwira
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Molecular Docking of Active Compounds from The Ethanol Extract of Phaleria macrocarpa Fruit with Iron Transporters DMT1 and ZIP14
Iron-overload can lead to organ damage by promoting free radical production.This study explores the potential inhibitory effects of compounds found in Phaleria macrocarpa fruit on non-transferrin-bound iron uptake...Rahma Rahma
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Ari Estuningtyas
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Identification of Active Compounds of Leaf Extract and Seed Oil of Moringa oleifera in TrkB Receptor as Neuroprotective by Molecular Docking
The functional ability of the brain will decline progressively during aging which usually involves changes in plasticity. BDNF is one of the neurotrophins that regulates plasticity via TrkB receptors. So the...Muhamad Sadam Safutra
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Fadilah
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Wawaimuli Arozal
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Agian Jeffilano Barinda
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The Potential of Active Compounds from Melinjo Leaves (Gnetum gnemon) as an Antihistamine using Molecular Docking Approach for Acetylcholine Muscarinic M3 Receptor Inhibition
Melinjo leaves (Gnetum gnemon) have been used traditionally in Maluku to treat spoilage in the fish product. Melinjo leaves contain secondary metabolites with anti-inflammatory and antibacterial biological...Nelson Gaspersz
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Matthew Adi Honey Amos
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Yusthinus T. Male
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Muh. Daswar A. Baharudin
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Dean Y.E. Leuwol
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Rahma El
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Priska M. Pattiasina
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Mario R. Sohilait
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Herland Satriawan
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In Silico Evaluation of Cardiac Glycosides from Vernonia amygdalina as EGFR Inhibitors in Triple Negative Breast Cancer
Triple-negative breast cancer (TNBC) is an aggressive subtype with limited targeted therapies, emphasizing the urgent need for novel molecular inhibitors. Epidermal growth factor receptor (EGFR) is overexpressed in...Gisela Agustin Habayahan
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Denny Satria
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Identification of Antiviral Compounds against Hepatitis C Virus (HCV) targeting NS3 Protein by Pharmacophore Modeling, Molecular Docking, and ADMET Approach
Hepatitis C Virus (HCV) is a world health problem. HCV infection is initiated by various structural and non-structural proteins. The HCV NS3 protein has an important function in viral replication. The N-terminal...Ratih Rahayu
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Linda Erlina
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Suratno Lulut Ratnoglik
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Andi Yasmon
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Fadilah
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Rafika Indah Paramita
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Molecular Docking-Based Screening of Phytochemicals from Dimocarpus longan Lour. Peel Extract as Potential Larvicidal Agents Against Aedes aegypti
Dengue fever continues to threaten global health, especially in tropical regions where Aedes aegypti mosquitoes proliferate. Ideally, vector populations would be controlled with environmentally safe, effective...Mardhah Sasri Utami
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Ivone Lutfiyah
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Amalia Shari
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Potential Hydrophobic Pocket of Squalene Synthase: An In Silico Analysis
Cardiovascular disease cases increase due to consumption cholesterol dietary habit. It is well-known that squalence synthase (SQS) is the first committed enzyme for cholesterol synthesis. Therefore, SQS become target...Fitri Amelia
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Basultan Hidayat
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Iryani Iryani
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Iswendi Iswendi
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Structure-Based Virtual Screening and Molecular Docking on the Indonesian Herbal Compound as a Promising Insulin Receptor (INSR) Inhibitor to Suppress Tumor Growth
A healthy cell maintains a homeostasis condition of glucose level, whereas cancer cells do not. Increased glucose uptake is a hallmark of cancer cells that helps them survive, proliferate, and spread. INSR is one of...Veronica Hesti Candraningrum
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Linda Erlina
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Rafika Indah Paramita
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Fadillah Fadillah
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Surya Dwira
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Jaka Fajar Fatriansyah
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Learning and Memory Impairment in High Fat Diet Induced Obesity
Obesity is a manifestation of abnormal fat accumulation which can lead to impairment in several organs, including the brain. Neuroinflammation is considered the cause of cell death as well as reactive oxygen species...Citra Ariani
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Nurhadi Ibrahim
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Sophie Yolanda
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Identification of Potential Biomarkers for Hypertensive Nephropathy by Bioinformatics Analysis
Hypertensive nephropathy (HN) is a common complication of chronic hypertension that leads to kidney damage. This study aimed to identify potential biomarkers and key pathways associated with HN using bioinformatics...Ariski Fajarido
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Fadilah Fadilah
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Wawaimuli Arozal
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The Implementation of Machine Learning Algorithms for Breast Cancer Biomarker Validation in Metabolomics Studies
Breast cancer is a heterogeneous disease characterized by distinct molecular and metabolic characteristics, making its diagnostics and treatment challenging. The existence of metabolic reprogramming in breast cancer...Nindhyana Diwaratri Ratnaningayu
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Aryo Tedjo
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Sonar Soni Panigoro