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All Journal CHEMISTRY PROGRESS Jurnal Ilmiah Universitas Batanghari Jambi Syntax Literate: Jurnal Ilmiah Indonesia Jurnal Biologi Tropis Jurnal Farmasi Medica (Pharmacy Medical Journal) PMJ UMI Medical Journal PREPOTIF : Jurnal Kesehatan Masyarakat Jurnal Ners Borneo Journal of Medical Laboratory Technology Wal'afiat Hospital Journal Jurnal EduHealth INDONESIAN JOURNAL OF HEALTH Formosa Journal of Science and Technology (FJST) jpki Innovative: Journal Of Social Science Research WAL'AFIAT HOSPITAL JOURNAL Svarga Pena: Jurnal Pengabdian Kepada Masyarakat Jurnal Lentera: Penelitian dan Pengabdian Masyarakat
Abdullah, Rezky Putri Indarwati
Depertemen Ilmu Kesehatan Masyarakat, Fakultas Kedokteran, Universitas Muslim Indonesia, Makassar, Indonesia
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Journal : CHEMISTRY PROGRESS

 1 
ANALISIS SIFAT FISIKOKIMIA, FARMAKOKINETIK DAN TOKSIKOLOGI PADA PERICARPIUM PALA (Myristica fragransa) SECARA ARTIFICIAL INTELLIGENCE Abdullah, Surya Sumantri; Putra, Purnawan Pontana; Antasionasti, Irma; Rundengan, Gerald; Suoth, Elly Juliana; Abdullah, Rezky Putri Indarwati; Abdullah, Fatamorgana
CHEMISTRY PROGRESS Vol 14, No 2 (2021)
Publisher : Sam Ratulangi University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35799/cp.14.2.2021.37112

Abstract

Pala (Myristica fragransa) mengandung senyawa metabolit sekunder yang menunjukkan aktivitas farmakologi. Namun, bagian perikarpium terutama bagian nonvolatil belum banyak dilaporkan. Tujuan dari penelitian ini sebagai screening awal dengan melihat potensi dari senyawa yang dihasilkan perikarpium pala.Dua belas senyawa digambar dua dimensi, dianalisis menggunakan software dan server prediktor. Software yang digunakan adalah Marvin Sketch, ChembioDraw kemudian dianalisis sifat fisikokimia senyawa tersebut. Selanjutnya, server predictor untuk melihat karakteristik farmakokinetika dan toksisitasnya. Berdasarkan analisis sifat fisikokimia senyawa terbaik yaitu licarin (titik didih, titik kritis temperature dan refraksi molar), guaiacin (titik leleh), dan virolane (titik kritis tekanan). Hasil analisis Lipinski menunjukkan senyawa stigmasterol dan b-sitosterol tidak memenuhi kriteria Lipinski.. Selain itu data farmakokinetika menunjukkan stigmasterol, b-sitosterol, asetoneoglinan memiliki kelarutan dalam air yang rendah. Nilai permeabilitas CaCO-2 dan intestinal absorption semuanya memenuhi. Licarin termasuk substrat P-glikoprotein. Volume Distribusi menunjukkan semua senyawa terikat protein serum. b-sitosterol permeabilitas terhadap sawar darah-otak yang paling baik dan erythro-(7S,8R)-∆8’-7-acetoxy-3,4,3’,5’-tetramethoxy-8-O-4’-neolignan permeabilitasnya buruk. Surinamensin menunjukkan permeabilitas terhadap sistem saraf pusat yang tidak dapat berpenerasi. Elemicin dan surinamensin tidak dimetabolisme oleh enzim sitokrom CYP3A4. B-sitosterol memiliki klirens paling tinggi. Semua senyawa menunjukkan tingkat toksisitas yang rendah untuk penggunaan kulit (kecuali elemicin) dan tidak toksik bagi hati.ABSTRACT Nutmeg (Myristica fragransa) contains secondary metabolites that exhibit pharmacological activity. However, the pericarpium, especially the nonvolatile part, has not been widely reported. The purpose of this study was as an initial screening by looking at the potential compounds produced by the nutmeg pericarp. Twelve compounds were drawn in two dimensions, analyzed using software and predictor servers. The software used is Marvin Sketch, ChembioDraw and then the physicochemical properties of these compounds are analyzed. Furthermore, the predictor server to see the pharmacokinetic characteristics and toxicity. Based on the analysis of the physicochemical properties of the best compounds, compound licarin (boiling point, critical point of temperature and molar refractivity), guaiacin (melting point), and virolane (critical point of pressure). The results of Lipinski's analysis showed that stigmasterol and b-sitosterol compounds did not meet Lipinski's rule. In addition, pharmacokinetic data showed that stigmasterol, b-sitosterol, acetoneoglinan had low solubility in the water. The values of CaCO-2 permeability and intestinal absorption were all satisfactory. Licarin is a P-glycoprotein substrate. The Volume Distribution shows all the compositions of the serum proteins. B-sitosterol with the best permeability to the blood-brain barrier and erythro-(7S,8R)-∆8'-7-acetoxy-3,4,3',5'-tetramethoxy-8-O-4'-neolignan bad permeability. Surinamensin exhibits permeability to the non-permeable central nervous system. Elemicin and surinamensin are not metabolized by the cytochrome enzyme CYP3A4. B-sitosterol has the highest clearance. All compounds show a low level of toxicity for skin use (except elemicin) and are not toxic to the liver. 
Co-Authors AA Sudharmawan, AA Abdullah, Fatamorgana Abdullah, Surya Sumantri Aining Rezkyana Akbari, Ananda Hikmal Amkar, Musvirah Safitri Andi Dwi Wahyuni Andi Retno Afifah Angelina Stevany Regina Masengi Anggita, Dwi Annisa Nabila, Annisa Antasionasti, Irma Arifin Bando, Achmad Syafii Aritzah, Nur Bamahary, Aryanti R Budiman Budiman Cahyani, Putri Aulia Daeng Kanang, Indah Lestari Dahlia Dahlia Dahliah, Dahliah Darussalam, A. Muh Nurdiansyah Dewi, Ridha Kurnia Sulistiawati Diennillah, Naufal Ilmi Elly Suoth Febie Irsandy Syahruddin Fendy Dwimartyono Gani, Aziz Beru Habibasari, Mila Haris, Haslianti H. Hawaidah, Hawaidah Hidayat, Lujna Adharani Ida Putri Ihsani Ida Royani Ihsani, Ida Putri Indah Lestari Daeng Kanang Irma Nur Afiah Irmayanti Haidir Bima Irmayanti Irmayanti, Irmayanti Ishak, Muh. Fadlurrahman Ismail, Muhammad Wirasto Jayanto, Imam K, Irna Diyana Kartika M. Yogi Riyantama Isjoni Mahdi Umar Moudyana Lukman Muhajir, Agung Musa, Inna Mutmainnah N, Hermiaty Nasaruddin, Hermiaty Natsir, Pratiwi Nevi sulvita karsa Nur Azizah Nur, A. Ainun Wulandari Palloge, Salahuddin A. Palloge, Salahuddin Andi Pranomo, Sigit Dwi Prema Hapsari Purnomo, Sigit Dwi Putri Reni Ramadhani, Karlinda Novira Rasfayanah, Rasfayanah Reni, Putri Rizqi, Ain Tajriani Rundengan, Gerald Rundengan, Gerald Edward Safitri, Asrini Sam, A. Dhedie Prasatia Shofiyah Latief Sigit Dwi Purnomo Sommeng, Faisal Sri Sudewi, Sri Sri Wahyu Sri Wahyuni Gayatri Sumantri Abdullah, Surya Tasiam, Ezrani Usman Musa, Muflih Wiriansya, Edward Pandu Yanti, Andi Kartini Eka Yuniati, Lisa