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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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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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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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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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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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In Silico Evaluation of Natural Compounds as Dual Inhibitors of Exotoxin A and LasB (Elastase) Virulence Proteins in Pseudomonas aeruginosa
Pseudomonas aeruginosa is an opportunistic pathogen whose virulence is largely mediated by Exotoxin A and LasB (elastase), making them promising anti-virulence drug targets. This study aimed to evaluate the...Andrias Bayu Fariska
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Linda Erlina
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Ade Arsianti
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Aryo Tedjo
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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