Claim Missing Document
Check
Articles

Found 16 Documents
Search

Insight on Estrogen Receptor Alpha Modulator from Indonesian Herbal Database: An in-silico analysis Muhammad Arba; Nadhifatul Aslikah; Arfan Arfan; Ruslin Ruslin; Arry Yanuar
PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) Jurnal Pharmacy, Vol. 17 No. 02 Desember 2020
Publisher : Pharmacy Faculty, Universitas Muhammadiyah Purwokerto

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30595/pharmacy.v17i2.7592

Abstract

Estrogen receptor α (ERα) is liable for regulating transcription factors which are an important part of hormonal signaling in breast cancer. This study intends to find hit compounds that are considered capable of inhibiting ERα by utilizing structure-based pharmacophores and molecular docking. Pharmacophore of the original ERα ligand (E4D600) has one hydrogen bond acceptor and three hydrogen bond donors which are used to select compounds from the Indonesian herbal database. This pharmacophore model had an Area under Curve of the Receiver Operating Characteristics (AUC-ROC) value is 0.80 and the Goodness of Hits (GH) value is 0.81. The selection process generated 330 compounds which proceed to the molecular docking stage to analyze their binding energy and interactions to ERα. The results indicated potential hit compounds seen from their binding energies in the range -5.42 to -10.01 kcal/mol. four of the best compounds including Lig57/(-)-Bidwillon A, Lig47/Quercetin 3-(6''-galloylgalactoside), Lig197/Multifloroside and Lig83/Erythrabyssin II provide promising information for their detailed analysis as ERα inhibitors.
Comparative analysis of the stability features of human alpha-defensins as candidates for the future COVID-19 therapy through molecular dynamics Taufik Muhammad Fakih; Dwi Syah Fitra Ramadhan; Arfan Arfan
Pharmaciana Vol 12, No 3 (2022): Pharmaciana
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (425.827 KB) | DOI: 10.12928/pharmaciana.v12i3.22616

Abstract

Coronavirus 19 (COVID-19) is still a global health issue to date, SARS-CoV-2 is a novel coronavirus that is responsible for this sickness. The receptor-binding domain of the SARS-CoV-2 virus associates with angiotensin-converting enzyme 2 (ACE-2) and allows the virus to enter human cells. Natural peptides such alpha-defensin are thought to attach to the SARS-CoV-2 RBD and prohibit it from engaging with ACE-2. Molecular dynamics simulations using a computational approach are utilized to understand the stability of six alpha-defensin macromolecules using the Gromacs 2016 software. The trajectories formed are then analyzed using VMD 1.9.4 and BIOVIA Discovery Studio 2020 software. Finally, the free energy is estimated using the MM/PBSA method. The alpha-defensins 2 macromolecules were found to have the best stability based on numerous study results (trajectory visualization, RMSD, RMSF, and free energy calculations). As a result, these macromolecules could be used to build new antiviral treatments for COVID-19 infectious disease candidates.
PENINGKATAN KUALITAS KESEHATAN MASYARAKAT ERA PANDEMIC COVID-19 MELALUI PEMANFAATAN TANAMAN OBAT KELUARGA SEBAGAI SUMBER IMMUNOMODULATOR Sunandar Ihsan; Yamin Yamin; Muhammad Handoyo Sahumena; Wa Ode Sitti Zubaydah; Arfan Arfan
Jurnal Pengabdian NUSANTARA Vol 2, No 2 (2022): Juli - Desember
Publisher : Universitas Halu Oleo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33772/jpnus.v2i2.28443

Abstract

Coronavirus Diseases 2019 (COVID-19) is a disease caused by a new coronavirus strain (SARS-CoV-2) which then mutates into various variants including the omicron variant, alpha variant, beta variant, and gamma variant. Where, transmission will pose a high risk when the body's immunity is low. The purpose of this activity is to provide information on various "Family Medicine Gardens" that can function as Immunomodulators to the general public, as well as students, both junior high school (SMP) and elementary school (SD) students. The implementation of this activity is carried out face-to-face and is packaged in the form of socializing the benefits of the Family Medicinal Garden (TOGA) as a source of immunomodulators, together with the community practicing making Family Medicinal Plant gardens in the Poasia and Kambuh Districts as well as the School Environment. In addition, this is also done by distributing leaflets containing information on the types of plants that act as immunomodulators and how to make them.
Phytochemical Profile and Biological Activities of Ethylacetate Extract of Peanut (Arachis hypogaea L.) Stems: In-Vitro and In-Silico Studies with Bibliometric Analysis Idin Sahidin; N. Nohong; Marianti A. Manggau; A. Arfan; W. Wahyuni; Iren Meylani; M. Hajrul Malaka; Nur Syifa Rahmatika; Agung W. M. Yodha; Nur Upik En Masrika; Abdulkadir Kamaluddin; Andini Sundowo; Sofa Fajriah; Rathapon Asasutjarit; Adryan Fristiohady; Rina Maryanti; Nur Indri Rahayu; M. Muktiarni
Indonesian Journal of Science and Technology Vol 8, No 2 (2023): (ONLINE FIRST) IJOST: September 2023
Publisher : Universitas Pendidikan Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.17509/ijost.v8i2.54822

Abstract

The utilization of the stems, leaves, and hulls of peanuts (Arachis hypogea) is not as popular as the seeds. This study aimed to investigate the chemical contents and pharmacological activities of A. hypogaea stems in-vitro and in-silico. This study was also completed with bibliometric analysis. The methanol extract (ME) was reextracted by ethylacetate to get ethyl acetate extract (EAE). The chemical contents of EAE were analyzed by phytochemical screening, Liquid Chromatography-Mass Spectroscopy (LC-MS/MS), TPC (Total Phenolic Content), and TFC (Total Flavonoid Content). In-vitro and in-silico studies evaluated antioxidant potency, toxicity, and cytotoxicity toward MCF-7 cell lines. The results showed that EAE contained terpenoids, flavonoids, alkaloids, and phenolics which were supported by LC-MS/MS data. The EAE was categorized as a very strong antioxidant and moderately active in both cytotoxicity and toxicity.
Penambatan Molekul dan Dinamika Molekul beberapa Fitokimia dari Acalypha Indica L. sebagai Inhibitor Matriks Metalloproteinase9 Aiyi Asnawi; Ellin Febrina; Widhya Aligita; Anne Yuliantini; Arfan Arfan
Jurnal Sains Farmasi & Klinis Vol 10, No 1 (2023): J Sains Farm Klin 10(1), April 2023
Publisher : Fakultas Farmasi Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jsfk.10.1.62-70.2023

Abstract

Berbagai efek farmakologis telah dikaji terhadap ekstrak dan islolat dari Acalypha Indica L. terutama terkait dengan aktifitas anti kanker. Matrix metalloproteinases MMP9 merupakan contoh yang sangat baik dari kelompok proteinase terpenting yang terlibat dalam sel metastatic/kanker. MMP9 telah dikaitkan dengan berbagai macam penyakit, termasuk sistem pernapasan, sistem autoimun, dan bahkan kanker. Maka dari itu, makalah ini bertujuan untuk mendapatkan senyawa pemandu dari beberapa fitokimia Acalypha Indica L. yang bertanggung jawab dalam migrasi sel dengan menggunakan penambatan molekul dan dinamika molekul. Ligan ditambatkan ke situs aktif struktur kristal MMP9 (PDB ID: 5UE4) menggunakan aplikasi AutoDock Release 4.2.6. Proses penambatan molekul divalidasi dengan melakukan penambatan ulang ligan alami pada sisi aktif MMP9. Selanjutnya, menggunakan GROMACS dilakukan simulasi dinamika molekul (MD) ditandem dengan algoritma gmx_MMGBSA dan gmx_MMGBSA_ana untuk menghitung energi ikatan dan kontribusi residu terhadap terhadap kestabilan kompleks. Hasil menunjukkan hanya satu ligan dari 36 ligan yang dievaluasi tidak mampu berikatan dengan sisi aktif MMP9, dan enam dari ligan mampu mengikatnya lebih negatif daripada ligan alami. Kompleks dengan ligan S54 dan S56 yang memiliki energi paling negatif tetapi dari sisi parameter lainnya, kompleks S56 paling stabil. Dapat disimpulkan, g-sitosterol asetat (S56) memiliki potensi untuk berfungsi sebagai senyawa pemandu untuk MMP9
Pencarian Inhibitor DYRK2 dari Database Bahan Alam Zinc15: Analisis Farmakofor, Simulasi Docking dan Dinamika Molekuler La Ode Aman; Mangara Sihaloho; Arfan Arfan
Jurnal Sains Farmasi & Klinis Vol 10, No 1 (2023): J Sains Farm Klin 10(1), April 2023
Publisher : Fakultas Farmasi Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jsfk.10.1.100-113.2023

Abstract

DYRK2 (Dual-specificity tyrosine phosphorylation-regulated kinase 2) merupakan protein kinase yang memiliki banyak peranan dalam berbagai proses biologis, termasuk pembelahan sel, proliferasi sel, diferensiasi sel, dan apoptosis. DYRK2 diantaranya terlibat dalam regulasi siklus sel dengan cara mengatur aktivitas proteasom 26S sehingga inhibisi aktivitas DYRK2 dapat menghambat fungsi proteasom 26S dan mengurangi proliferasi sel kanker. Secara in vitro, kurkumin menunjukan kemampuan mengurangi proliferasi sel kanker melalui penghambatan enzim DYRK2. Pada penelitian ini, analog kurkumin telah diskrining dari database bahan alam Zinc15 dengan menggunakan model farmakofor yang diperoleg dengan pendekatan berbasis ligan. Hasil skrining kemudian dievaluasi dengan menerapkan teknik docking molekuler dan dinamika molekuler berdasarkan energi interaksi, rata-rata energi pengikatan bebas dan stabilitas interaksi antara ligan dan situs aktif DYRK2. Skrining terhadap 270.547 molekul dari database bahan alam Zinc15 menghasilkan 110 senyawa hit terpilih. Dengan mempertimbangkan hasil simulasi docking dan dinamika molekuler, tiga analog kurkumin prospektif telah dipilih yaitu ZINC000085597244, ZINC000217945958, dan ZINC000217643970. Molekul-molekul ini memiliki kriteria yang lebih baik dibandingkan kurkumin pada beberapa kriteria, seperti energi interaksi, energi pengikatan bebas, dan stabilitas interaksi dengan target. Disimpulkan, senyawa-senyawa ZINC000085597244, ZINC000217945958, dan ZINC000217643970 diprediksi sebagai kandidat potensial untuk obat anti-kanker dengan mekanisme aksi spesifik terhadap DYRK2.
The Potential of Clerodendrum paniculatum Leaves Fraction as a 3-Chymotrypsin-Like (3CL) Protease Inhibitor of SARS-CoV-2 Muhammad Arba; Arfan Arfan; Yamin Yamin; Muhammad Sulaiman Zubair
Indonesian Journal of Chemistry Vol 23, No 3 (2023)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.81447

Abstract

We described the biological activity of the Clerodendrum paniculatum leaf fraction against the SARS-CoV-2 3-Chymotrypsin-like 3CL protease at the molecular level. This study applied LC-MS/MS to identify bioactive compounds from fractions, computational studies, and fluorescence resonance energy transfer (FRET) assays to ascertain their inhibitory activity. LC-MS/MS analysis of the three samples revealed that sample 1 contained 18 compound peaks. In samples 2 and 3, there were 23 and 25 compounds with different molecular weights, respectively. Docking's study identified that the alkaloids (komarovicine and roemerine) have lower binding energies than other metabolites and standard compounds, with values of -33.47 and -32.63 kJ/mol, respectively. Roemerine demonstrated excellent stability based on dynamic simulation results and confirmed its affinity for 3CL protease predicted by the MM-PBSA approach of -89.44 kJ/mol. The FRET method for testing 3CL protease activity revealed that sample 2 had an enzyme inhibitory activity of 94.3%, which was close to that of GC376 (98.19%). Meanwhile, samples 1 and 3 yielded satisfactory inhibition activity by 89.64% and 85.24%, respectively. The antiviral activity of C. paniculatum leaves was discovered for the first time by inhibiting the 3CL protease SARS-CoV-2, providing an excellent opportunity for its development as an anti-SARS-CoV-2.
SOSIALISASI DAN EDUKASI TENTANG BAHAYA NARKOBA PADA MASYARAKAT PESISIR DI SMPN SATU ATAP TAPULAGA KECAMATAN SOROPIA Nuralifah Nuralifah; Muhammad Hajrul Malaka; Arfan; Parawansah; Murniaty; Mursyidah Apriatin; Helma Yanda Serah; Puteri Febriyanthi Rachman; Sri Oktaviani; Sofianti Tarta; Sitti Fazrianti Saputri; Wa Ode Nurmayanti
Mosiraha: Jurnal Pengabdian Farmasi Vol. 1 No. 1 (2023): Edisi April 2023
Publisher : Fakultas Farmasi Universitas Halu Oleo

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Narkoba adalah singkatan dari narkotika, psikotropika dan bahan adiktif lainnya. Istilah lainnya  adalah  NAPZA  (narkotika,  psikotropika  dan  zat  adiktif). Salah satu kelompok masyarakat yang rawan terpapar penyalahgunaan Narkoba yaitu pada rentang usia 15-35 tahun atau generasi milenial. Kelompok usia remaja justru memiliki keinginan yang besar untuk mencoba-coba, mengikuti trend dan gaya hidup, serta memilih hidup bersenang senang.  Tujuan dari pengabdian ini yaitu dilakukannya kegiatan sosialisasi mengenai bahaya penyalahgunaan narkoba di Sekolah Menengah Pertama (SMP) Negeri Satu Atap Tapulaga  untuk meningkatkan pemahaman tentang dampak yang ditimbulkan dari penggunaan narkoba, baik secara fisik, psikis maupun sosial ekonomi. Metode yang diberikan berupa informasi melalui penyuluhan, leaflet dan media sosial. Hasil dari kegiatan pengabdian yang telah dilakukan yaitu bertambahnya pengetahuan Siswa/Siswi SMPN Satu Atap Desa Tapulaga tentang bahaya penggunaan narkoba dan mendapatkan informasi yang jelas mengenai narkoba.
Eksplorasi Senyawa Penghambat Enzim Salisilat Sintase dari Mycobacterium tuberculosis melalui Studi Penambatan Molekul dan Prediksi Sifat ADME: Exploration of Salicylate Synthase Enzyme Inhibitors from Mycobacterium tuberculosis Through Molecular Docking Studies and ADME Properties Prediction Arfan Arfan; Rahmat Muliadi; Nur Rayani
Lansau: Jurnal Ilmu Kefarmasian Vol. 1 No. 1 (2023): Lansau: Edisi April 2023
Publisher : Fakultas Farmasi Universitas Halu Oleo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33772/lansau.v1i1.9

Abstract

The emergence of drug-resistant Mycobacterium tuberculosis (MTB) has become a major issue in tuberculosis (TB) treatment, and needs to find and develop new efficient drugs for better TB control. This research aims to discover a potential MTB salicylate synthase inhibitor, which regulates mycobactin biosynthesis, to bind iron ions which facilitate bacteria to replicate by utilizing the molecular docking method. A total of 462 compounds were chosen from the Marine Natural Products database. The test compounds were filtered sequentially based on their molecular weight and binding affinity energy. After re-categorizing the parameters, such as predicted binding energies and molecular interactions, including hydrogen bond and hydrophobic interactions, compounds CMNPD18535 (xylogranatin H), CMNPD20622 (agallochoal O), CMNPD25719 (isoscutellarein 7-O-β-xyloside-2′′-O-sulfate), and CMNPD31560 (28-nor-olean-2a,3ß-dihydroxy-14,17-diene-16-one) were identified as hit compounds. These four compounds demonstrated the greatest ability to inhibit the salicylate synthase enzyme with binding energies of -10.33, -10.1, -10.03, and -9.76 kcal/mol, respectively, compared to RVE (native ligand), which exhibited binding energy of -8.15 kcal/mol. Overall, the hit compounds showed a relatively good safety profile and Lipinski criteria except for CMNPD20622 because it inhibits the enzymes CYP2C9 and CYP3A4, and CMNPD25719, which has excess donors and acceptors hydrogen, thus violating 2 Lipinski criteria as an oral drug. This research could be the first step toward identifying appropriate candidate compounds for further experimental investigation as an alternative to the MTB salicylate synthase inhibitors.
PENINGKATAN PEMAHAMAN TENTANG BAHAYA PENYALAHGUNAAN NARKOBA DAN OBAT KERAS PADA REMAJA DI SMA NEGERI 1 SOROPIA Muhammad Arba; Rahmat Muliadi; Arfan Arfan; Rifa'atul Mahmudah
Mosiraha: Jurnal Pengabdian Farmasi Vol. 1 No. 2 (2023): Edisi Agustus 2023
Publisher : Fakultas Farmasi Universitas Halu Oleo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33772/mosiraha.v1i2.14

Abstract

Penyalahgunaan narkoba dan obat keras telah menjadi permasalahan serius yang merugikan individu, keluarga, dan masyarakat. Untuk mengatasi masalah ini, dilakukan sebuah pengabdian masyarakat di desa pesisir, khususnya di SMAN 1 Soropia, dengan fokus pada sosialisasi mengenai bahaya penyalahgunaan narkotika dan obat keras. Pengabdian ini bertujuan untuk meningkatkan kesadaran masyarakat, terutama siswa-siswi SMAN 1 Soropia, tentang risiko dan konsekuensi negatif dari penyalahgunaan narkoba dan obat keras. Selain itu, pengabdian ini juga bertujuan untuk mempromosikan gaya hidup sehat sebagai upaya preventif dalam mengatasi penyalahgunaan. Pengabdian dilakukan dengan metode penyuluhan, pembagian leaflet, dan kegiatan interaktif melalui pemberian materi dan diskusi. Penyuluhan memberikan informasi yang komprehensif tentang jenis narkoba, dampaknya pada kesehatan fisik dan mental, serta implikasi hukumnya. Hasil dari pengabdian ini menunjukkan peningkatan kesadaran masyarakat di desa pesisir, khususnya siswa-siswi SMAN 1 Soropia, tentang risiko penyalahgunaan narkoba dan obat keras. Masyarakat menjadi lebih responsif dan proaktif dalam upaya pencegahan, dengan mengambil langkah-langkah preventif untuk menghindari penyalahgunaan obat keras. Pengabdian masyarakat ini berhasil meningkatkan kesadaran masyarakat tentang bahaya penyalahgunaan narkoba dan obat keras. Kolaborasi antara pihak sekolah, masyarakat, dan instansi terkait menjadi kunci dalam menciptakan lingkungan yang lebih aman dan sehat di desa pesisir. Melalui upaya pencegahan ini, diharapkan perubahan perilaku yang lebih positif dapat terus berkembang, sehingga kualitas hidup masyarakat di daerah pesisir dapat meningkat.
Co-Authors Abdulkadir Kamaluddin Adryan Fristiohady Adryan Fristiohady Agung W. M. Yodha Aiyi Asnawi Andini Sundowo Anne Yuliantini Arba, Muhammad Arry Yanuar Asnita Hafsani Atilla Dian Dewanti Gintoro Dian Munasari Solo Dwi Syah Fitra Ramadhan Ellin Febrina Firman Oktivendra Fitrawan, La Ode Muhammad Helma Yanda Serah Idin Sahidin Idin Sahidin Iren Meylani Irvan Anwar Irvan Anwar Kasmawati, Henny La Ode Aman La Ode Nggawu Loly Subhiaty Idrus M. Hajrul Malaka Mangara Sihaloho Marianti A. Manggau Masrika, Nur Upik En Muhammad Arba Muhammad Hajrul Malaka Muhammad Handoyo Sahumena Muhammad Ilyas Y Muhammad Sulaiman Zubair Muktiarni, Muktiarni Murniaty Mursyidah Apriatin N. Nohong Nadhifatul Aslikah Nirwati Rusli Nita Trinovitasari Nur Aisyah Abdullah Nur Indri Rahayu Nur Rayani Nur Rayani Nur Salma Nur Syifa Rahmatika Nuralifah Nuralifah Nuralifah, Nuralifah Nurhikma Nurhikma Nurramadhani A. Sida Nurramadhani Asida Nurtikawati Nurtikawati Nurull Hikmah Parawansah Parawansah Puteri Febriyanthi Rachman Rachma Malina Rahman, Sudarman Rahmat Muliadi Rahmat Sewa Suraya Rathapon Asasutjarit Rifa'atul Mahmudah Rina Maryanti Ruslin Ruslin Rusman, Arman Sabarudin Sabarudin Sahidin Sahidin Sitti Fazrianti Saputri Sitti Raodah Nurul Jannah Sitti Raodah Nurul Jannah Sofa Fajriah Sofianti Tarta Sri oktaviani Sulsiah Sulsiah Sunandar Ihsan Taufik Muhammad Fakih Titin Syafiransyah Wa Ode Dian Indrayanti Wa Ode Nurmayanti Wa Ode Sitti Zubaydah Wahyuni Wahyuni Widhya Aligita Yamin Yamin Yamin Yamin Yamin Yodha, Agung Wibawa Mahatva