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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.
DAGUSIBU DI SMP NEGERI 2 SOROPIA, DESA SOROPIA, KECAMATAN SOROPIA DALAM MENIGKATKAN PENGETAHUAN ANAK TERHADAP KESEHATAN Irvan Anwar; Henny Kasmawati; Fery Indradewi; Hasnawati; Nurramadhani A.Sida; Vica Aspadiah; Nur Illiyyin Akib; Halik; Nur Rayani
Mosiraha: Jurnal Pengabdian Farmasi Vol. 2 No. 1 (2024): Edisi April 2024
Publisher : Fakultas Farmasi Universitas Halu Oleo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33772/mosiraha.v2i1.17

Abstract

Obat merupakan zat yang digunakan untuk pencegahan dan penyembuhan penyakit serta pemulihan dan peningkatan kesehatan bagi penggunanya. Pemahaman dan pengetahuan penggunaan obat yang baik dan benar merupakan bagian penting dari tercapainya kesehatan seseorang. Upaya meningkatkan penggunaan obat yang baik dan benar dapat diakselerasi melalui sosialisasi dan edukasi tentang Dagusibu (Dapatkan, Gunakan, Simpan, dan Buang obat dengan benar dan tepat) dan tanya 5O kepada apoteker. Kegiatan ini bertujuan untuk meningkatkan pemahaman dan pengetahuan adik-adik SMPN 2 Soropia tentang cara penggunaan obat yang baik dan benar di kehidupan sehari-hari. Metode yang digunakan pada kegiatan ini berupa cerama dan diskusi. Dari hasil kegiatan ini, adik-adik SMPN 2 Soropia telah mendapat informasi dan memahami cara penggunaan obat yang baik dan benar.