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Bandung Conference Series: Pharmacy
ISSN : -     EISSN : 28282116     DOI : https://doi.org/10.29313/bcsp.v2i2
Core Subject : Health, Science,
Bandung Conference Series: Pharmacy (BCSP) menerbitkan artikel penelitian akademik tentang kajian teoritis dan terapan serta berfokus pada Farmasi dengan ruang lingkup Airlock system Kanker, Alcohol, Antelmintik, Antigastritis drugs, Antioksidan, Artemia franciscana, Ascaris suum, Cacing babi (Ascaris suum Goeze), Contact Bioautography TLC, Daun cincau hijau (Cyclea barbata Miers), Daun kelor (Moringa oleifera Lam), Diabetes mellitus, DPPH Flavonoid, Fenilpropanolamin, Fermentasi, Flavonoid, Flavonol,Iles-iles, Isolasi, Lichen, Malassezia furfur, Metode Brine Shrimp Lethality Test (BSLT), Obat antidiabetes (OAD) Propionibacterium acnes, Obat tradisional, Parkia Speciosa Antibakteri, Pektin, Propionibacterium Acnes, Pseudoefedrin, Saccharomyces Cerevisiae, Spektrofotometri uv sinar tampak, Staphylococcus epidermidis, uji aktivitas antibakteri, Uji sitotoksik, Usnea baileyi. Prosiding ini diterbitkan oleh UPT Publikasi Ilmiah Unisba. Artikel yang dikirimkan ke prosiding ini akan diproses secara online dan menggunakan double blind review minimal oleh dua orang mitra bebestari.
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Studi In Silico Profil ADME dan Drug-Likeness Senyawa Bioaktif Pegagan (Centella asiatica L.) terhadap Potensi Terapi Alzheimer Muhamad Inzaghi Divi Wijaya; Taufik Muhammad Fakih; Ibnu Dharsono Faizal
Bandung Conference Series: Pharmacy 737 - 744
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29313/bcsp.v6i2.25682

Abstract

Abstract. Alzheimer’s disease is a complex neurodegenerative disorder involving several pathological mechanisms, including β-amyloid accumulation, tau hyperphosphorylation, oxidative stress, neuroinflammation, neuronal apoptosis, and impaired signal transduction. Pegagan (Centella asiatica L.) contains bioactive compounds that are considered to have neuroprotective potential. This study aimed to analyze the potential of active compounds from Centella asiatica against Alzheimer’s disease using network pharmacology and molecular docking approaches. Compound data were collected from KNApSAcK, IMPPAT, and NPASS databases, followed by analysis using PubChem, SwissADME, SwissTargetPrediction, GeneCards, STRING, Cytoscape, CytoHubba, and molecular docking. A total of 160 bioactive compounds were obtained, and 31 compounds met the criteria for drug-likeness, bioavailability, and blood-brain barrier permeability. Target prediction of selected compounds identified 528 proteins, while Alzheimer’s disease-related targets from GeneCards consisted of 15,256 proteins, resulting in 431 overlapping targets. Further analysis identified PIK3CA, PIK3CB, PIK3CD, JAK2, and PTPN11 as the main protein targets. Molecular docking results showed that Mol29, namely Phaseollinisoflavan, had the best affinity toward PTPN11 with a binding affinity value of -9,13 kcal/mol. These results suggest that Centella asiatica has potential as an Alzheimer’s disease therapy candidate through multitarget and multipathway mechanisms based on in silico analysis. Abstrak. Penyakit Alzheimer merupakan gangguan neurodegeneratif kompleks yang melibatkan berbagai mekanisme patologis, seperti akumulasi β-amiloid, hiperfosforilasi tau, stres oksidatif, neuroinflamasi, apoptosis neuron, dan gangguan transduksi sinyal. Pegagan (Centella asiatica L.) diketahui memiliki senyawa bioaktif yang berpotensi memberikan aktivitas neuroprotektif. Penelitian ini bertujuan untuk menganalisis potensi senyawa aktif Centella asiatica terhadap penyakit Alzheimer menggunakan pendekatan network pharmacology dan molecular docking. Data senyawa diperoleh dari basis data KNApSAcK, IMPPAT, dan NPASS, kemudian dianalisis menggunakan PubChem, SwissADME, SwissTargetPrediction, GeneCards, STRING, Cytoscape, CytoHubba, dan molecular docking. Hasil pengumpulan data memperoleh 160 senyawa bioaktif, dengan 31 senyawa yang memenuhi kriteria drug-likeness, bioavailabilitas, dan kemampuan menembus blood-brain barrier. Prediksi target senyawa menghasilkan 528 protein, sedangkan target Alzheimer dari GeneCards memperoleh 15.256 protein, dengan 431 protein irisan. Analisis lebih lanjut mengidentifikasi PIK3CA, PIK3CB, PIK3CD, JAK2, dan PTPN11 sebagai target utama. Hasil molecular docking menunjukkan bahwa Mol29, yaitu Phaseollinisoflavan, memiliki afinitas terbaik terhadap PTPN11 dengan nilai binding affinity -9,13 kcal/mol. Hasil penelitian menunjukkan bahwa Centella asiatica berpotensi sebagai kandidat terapi Alzheimer melalui mekanisme multitarget dan multipathway secara in silico.

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