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Tracing Antibacterial Compounds from Kaledang (Artocarpus lanceifolius Roxb.) Stem Bark Hasan, Hamsidar; Tuloli, Tety; Bahri, Syamsul; Aman, La Ode
Pharmaceutical Sciences and Research Vol. 10, No. 3
Publisher : UI Scholars Hub

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

Abstract

Artocarpus lanceifolius Roxb. or kaledang is a species of the mulberry family, Moraceae. Several extracts from its family have been reported to have antibacterial activity. Thus, it is necessary to determine compounds that have nature as antibacterial to be raw materials for antibacterial herbal medicines. The purpose of the study was to trace compounds that have antibacterial activity from Artocarpus lanceifolius stem bark. The study method was extraction by graded maceration, fractionation with column vacuum chromatography (CVC), isolation by radial chromatography, determination of antibacterial activity by agar diffusion method using the Gram positive and Gram negative bacteria. The characterization result of antibacterial compounds from Artocarpus lanceifolius chloroform extract stem bark showed the presence of prenylated flavonoid compound, namely 14-hydroxyartonin E (previously reported) with a diameter of inhibition zone at 5% concentration was 14.5 ± 0.1 mm against S. aureus (medium category), and 16.20 ± 0.2 mm against S. mutans (strong category), 14.3 ± 0.2 mm against E. coli (medium category), and 16.8± 0.7 mm against P. aeruginosa (strong category). It is concluded that 14-hydroxyartonin E in Artocarpus lanceifolius showed potential antibacterial activity.
Computational Study of Phytopharmaceutical Antidiabetes Potential of Gorontalo Traditional Medicine Plants La Kilo, Akram; Aman, La Ode; Asisah, Asisah; Ischak, Netty Ino; Paputungan, Mardjan; Alio, La
Jurnal Kartika Kimia Vol 6 No 1 (2023): Jurnal Kartika Kimia
Publisher : Department of Chemistry, Faculty of Sciences and Informatics, University of Jenderal Achmad Yani

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26874/jkk.v6i1.202

Abstract

Diabetes Mellitus (DM) was a disease characterized by the occurrence of hyperglycemia. This study aimed to analyze the activity of compounds in traditional medicinal plants as potential anti-diabetic candidates using the MM method and to analyze the interactions of compounds contained in traditional medicinal plants that could be used as anti-diabetic drugs. The methods used were Molecular docking and Molecular dynamics, with the Aldose reductase 2HV5 receptor and the ligand ZST. Based on the research findings, the active compounds identified as potential anti-diabetic drugs were Calebin_A and alpha_tocotrienol. Docking method validation on Protein 2HV5 using the natural ligand ZST showed an RMSD of 0.66 Å. The best results from molecular docking were obtained with Calebin_A, which had a binding affinity of -11.3 kcal/mol, and alpha_tocotrienol, which had a binding affinity of -11.2 kcal/mol. The results of the molecular dynamics method on the best complexes were evaluated by considering the changes in system energy, system temperature, pressure, RMSD, RMSF, and binding free energy (∆G). The standard ligand ZST had a value of -30.43 kcal/mol, the test ligand calebin_A had a value of -34.48 kcal/mol, and alpha_tocotrienol had a value of -39.46 kcal/mol.
Studi Potensi Pirazolin Tersubstitusi 1-N dari Thiosemicarbazone sebagai Agen Antiamuba melalui Uji In Silico La Kilo, Akram; Aman, La Ode; Sabihi, Ismail; La Kilo, Jafar
Indonesian Journal of Chemical Research Vol 7 No 1 (2019): Edisi Bulan Juli (Edition For July)
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2019.7-akr

Abstract

This Research aims to study Quantitative Structure-Activity Relationship (QSAR) of pyrazoline analogues, designing the new potential compounds as antiamoebic and study the interactions between the new compunds and the drugs target by molecular docking approach. This research was a theoritical research using computational chemistry method. The object of research was 21 novel of 1-N-substituted pyrazoline analogues of thiosemicarbazones with their antiamoebic biological activity. The data of research was obtained from quantum chemistry calculation and statistically analysis using Multiple Linear Regression (MLR). The resulting QSAR equation was Log IC50 = 0.869 + (0.081 x TPSA) + (0.018 x HF) + (0.527 x E-HOMO) + (3.378 x E-LUMO) + (-16.938 x Glob) + (0.234 x LogP), with statistic parameters of n = 21; R2 = 0.933; SEE = 0.14558; FHitung/FTabel = 8.607; PRESS = 0.491. This equation was used as a basic for designing and predicting the new antiamoebic compounds of pyrazoline analogues. The design of new compound of two lead compounds with the Topliss resulted 5 of 18 new compounds having theoretical better activity than the lead compound. Molecular docking study indicated that all of the best compounds have ability to bind to drug target macromolecule.
Rigid and Flexible Docking Study with ADME Evaluation of Hesperetin Analogues as LecB Inhibitors in Pseudomonas aeruginosa Arfan, Arfan; Rayani, Nur; Ruslin, Ruslin; Kasmawati, Henny; Aman, La Ode; Asnawi, Aiyi
Indonesian Journal of Pharmaceutical Science and Technology 2024: Suppl. 6, No. 2 (Universitas Halu Uleo Conference)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v6i2.52623

Abstract

Infections caused by Pseudomonas aeruginosa pose a considerable challenge in terms of treatment. The bacterium's key virulence factor, particularly LecB, plays a significant role in bacterial adherence, infections, biofilm formation, and suppression of the host immune response. This study aims to assess the affinity and interactions of hesperetin analogs against LecB in P. aeruginosa. The investigation utilized the molecular docking method, employing a combination of rigid and flexible docking. The docking results successfully identified hesperetin 7-O-glucoside and hesperetin 7-O-rhamnoside, demonstrating superior binding energies compared to MJO as the reference ligand. Rigid docking indicated binding energies of -7.0 and -7.2 kcal/mol for hesperetin 7-O-glucoside and hesperetin 7-O-rhamnoside, respectively. Subsequently, flexible docking revealed lower binding energies for both compounds, reaching -10.3 kcal/mol. These top-performing compounds exhibited interactions with critical residues, including Asn70, Arg72, Thr98, Asp99, Asp96, Asn21, and Ser23, strategically positioned in LecB's substrate-binding site in P. aeruginosa. Notably, hesperetin 7-O-rhamnoside displayed an excellent ADME profile and a favorable safety profile, as it was predicted not to inhibit CYP enzymes. The hesperetin analog also met Lipinski's rules, suggesting its suitability as an oral drug. In conclusion, this research unveils the potential antibacterial activity of hesperetin analogs and provides an opportunity for experimental verification of these compounds as candidates for antibacterial drugs against P. aeruginosa.
Sosialisasi dan Edukasi Jaminan Produk Halal Di Lingkungan Desa Tamboo Kecamatan Bone Pantai Mustapa, Mohamad Adam; Aman, La Ode; Suryadi, A Mu'thi Andy; Paneo, Mohamad Aprianto; Taupik, Muhammad
Jurnal Pengabdian Masyarakat Farmasi : Pharmacare Society Vol 3, No 2 (2024): Volume 3, Nomor 2, Tahun (2024)
Publisher : State University of Gorontalo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37905/phar.soc.v3i2.26801

Abstract

Halal dan thoyib telah diterima sebagai standar mutu yang diterapkan pada penyediaan dan proses produksi suatu produk. Standar halal mencakup produk makanan, kosmetik, farmasi dan medis. Bagi konsumen muslim, membeli produk yang bersertifikat halal dapat menjamin kebersihan dan kesehatan tentunya sesuai syariat Islam. Kesadaran masyarakat baik konsumen maupun pelaku usaha terhadap permasalahan standar halal di Indonesia khususnya di lingkungan Desa Tamboo masih tergolong rendah. Standardisasi halal harus ditinjau dari hulu hingga hilir, sehingga diperlukan sosialisasi dan edukasi yang lebih intensif untuk meningkatkan pengetahuan dan kesadaran masyarakat untuk didorong menuju sertifikasi halal. Program pengabdian kepada masyarakat ini akan mensosialisasikan UU no.33 Tahun 2014 tentang Jaminan Produk Halal dan ketentuan teknis penerapannya. Program ini akan dilanjutkan dengan kunjungan langsung ke bidang penyiapan makanan dan minuman di rumah sakit. Peserta juga mendapat pendampingan untuk proses sertifikasi halal produk makanan dan minumannya. Kesadaran akan standar halal yang dibangun di kalangan konsumen dan pengusaha kuliner diharapkan dapat menjadi cikal bakal dapur dan kantin halal di Gorontalo sebagai kota wisata, menjadi percontohan bagi pengusaha produk kuliner lainnya menuju ke arah yang lebih baik. kota wisata halal.
Molecular Docking of Secondary Metabolite Compounds of Andrographis Paniculata Plant as Potential Covid-19 Drug Candidate Netty Ino Ishak; Akram La Kilo; Dandi Saputra Halidi; La Ode Aman; Jafar La Kilo; Weny J.A. Musa
Jurnal Sains dan Kesehatan Vol. 5 No. 3 (2023): J. Sains Kes.
Publisher : Fakultas Farmasi, Universitas Mulawarman, Samarinda, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25026/jsk.v5i3.1845

Abstract

The aim of this research was to investigate the interaction between secondary metabolite compounds and the Mpro receptor, which was the main protein in Covid-19. Ligand-receptor interactions were studied using the Molecular Docking method. The validation results indicated that the test ligand Andrographolide had a higher affinity value compared to the standard ligand, with a value of -6.6 kcal/mol compared to the standard ligand's -7.5 kcal/mol. Additionally, the compound 14-Acetyl-3,19-isopropylideneandrographolide, 5,4 dihydroxy-7,8,2',3'-tetramethoxyflavone-5-glucoside had an affinity of -7.5 kcal/mol, Andrographidin A had -7.6 kcal/mol, Andrographiside had -7.7 kcal/mol, Skullcapflavone I had 7.7 kcal/mol, 5-Hydroxy-7,8,2'-trimethoxyflavone-5-glucoside had -7.7 kcal/mol, Apigenin had 7.7 kcal/mol, 5-Hydroxy-7,8-dimethoxyflavone-5-glucoside had -7.8 kcal/mol, Neoandrographolide had -7.8 kcal/mol, Andropanoside had -7.9 kcal/mol, Wogonin-5 glucoside had -8.1 kcal/mol, 5,2',3'-Trihydroxy-7,8-dimethoxyflavone-3'-glucoside had -8.4 kcal/mol, and Bisandrographolide had -8.5 kcal/mol. From the molecular docking results, the secondary metabolite compounds from the Andrographis paniculata plant exhibited significant interactions surpassing the standard ligand N3. Active residue interactions observed included Phe140, Leu141, Asn142, Gly143, His163, Glu166, Gln189, and Thr190. Keywords: Andrographis paniculata; Covid-19 drug; Mpro receptor; molecular docking
ANALYSIS OF HAZARDOUS COMPOUNDS IN REFILLABLE ROLL-ON PERFUMES CIRCULATING IN GORONTALO CITY USING GC-MS Ibrahim, Indriyanti; Isa, Ishak; Rumape, Opir; Aman, La Ode; Kunusa, Wiwin Rewini; Kilo, Jafar La; La Kilo, Akram
JURNAL KIMIA SAINTEK DAN PENDIDIKAN Vol. 8 No. 1 (2024): JURNAL KIMIA SAINTEK DAN PENDIDIKAN
Publisher : Program Studi Kimia - Universitas Sari Mutiara Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51544/kimia.v8i1.5101

Abstract

This study aims to analyze the potentially hazardous compounds in refillable roll-on perfumes. The analytical method employed was GC-MS. The results from GC-MS analysis revealed hazardous compounds including Alpha-Pinene with concentrations in samples A-E = 0.0048 ppm, 0.0035 ppm, 0.0105 ppm, 0.0038 ppm, 0.0034 ppm; Dipropylene glycol with concentrations in samples A-E = 0.0322 ppm, 0.0162 ppm, 0.0692 ppm, 0.0493 ppm, 0.0465 ppm; Limonene with concentrations in samples A-E = 0.0705 ppm, 0.0373 ppm, 0.0222 ppm, 0.1462 ppm; Linalool with concentrations in samples A-E = 0.0092 ppm, 0.0568 ppm, 0.0146 ppm, 0.1298 ppm, 0.1233 ppm; Linalyl Acetate with concentrations in samples A-E = 0.1207 ppm, 0.0719 ppm, 0.0413 ppm, 0.1418 ppm, 0.1285 ppm. The levels of these compounds in the samples are below exposure thresholds, suggesting their current use is considered safe. However, stringent government oversight is necessary for refillable perfume products available in Gorontalo City.
Pencarian Inhibitor DYRK2 dari Database Bahan Alam Zinc15: Analisis Farmakofor, Simulasi Docking dan Dinamika Molekuler Aman, La Ode; Sihaloho, Mangara; Arfan, Arfan
JSFK (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.
Inhibis Enzim α-Glukosidase dan α-Amilase dari Ekstrak Metanol Daun Buhu (Garuga floribunda Decne) Sebagai Antidiabetes Nurvita Abdullah; Netty Ino Ischak; La Alio; Yuszda K. Salimi; La Ode Aman; Ahmad Kadir Kilo
Algoritma : Jurnal Matematika, Ilmu pengetahuan Alam, Kebumian dan Angkasa Vol. 3 No. 1 (2025): Algoritma : Jurnal Matematika, Ilmu pengetahuan Alam, Kebumian dan Angkasa
Publisher : Asosiasi Riset Ilmu Matematika dan Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62383/algoritma.v3i1.360

Abstract

The Garuga floribunda (Garuga floribunda Decne) plant is one of the species known for its various medicinal properties. This research aims to investigate the inhibitory activity of α- glucosidase and α-amylase enzymes and to determine the optimum concentration of the methanol extract of Garuga floribunda leaves as an antidiabetic agent. The leaves extraction is obtained through an extraction process using methanol as the solvent and tested for itsinhibitory activity against the α-glucosidase enzyme using the p-nitrophenyl-α-D- glucopyranoside (p-NPG) substrate and the α-amylase enzyme using the DNS (3,5- dinitrosalicylic acid) substrate. The method is UV-Vis spectrophotometry. The Phytochemical tests of this plant reveal the presence of flavonoids, alkaloids, saponins, tannins, steroids, and terpenoids. The inhibition test results show that the methanol extract of Garuga floribundaleaves exhibited significant inhibitory activity against both enzymes. The highest inhibition percentage against the α-glucosidase enzyme is 91.09%, indicating very high antidiabetic activity. Meanwhile, the inhibition against the α-amylase enzyme is 7.56%, showing no significant antidiabetic activity. The optimum concentration for inhibiting both enzymes is 1000 ppm.
Uji Organoleptik & Karakteristik Fisikokimia Serta Aktivitas Antioksidan Produk Susu Berbasis Kacang Sacha Inchi (Plukenetia volubilis L.) Nurfadilah M. Kasim; Netty Ino Ischak; Yuszda K. Salimi; Nurhayati Bialangi; La Ode Aman; Erni Mohamad
Pentagon : Jurnal Matematika dan Ilmu Pengetahuan Alam Vol. 3 No. 1 (2025): Maret : Pentagon : Jurnal Matematika dan Ilmu Pengetahuan Alam
Publisher : Asosiasi Riset Ilmu Matematika dan Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62383/pentagon.v3i1.412

Abstract

This research aims to formulate and examine the physicochemical characteristics and antioxidant activity of sacha inchi (Plukenetia volubilis L.) as a plant-based milk. Moreover, this research also aims to conduct organoleptic tests on the products. The sacha inchi milk is formulated with five ratios: SI1 (sacha inchi 1:10 parts water), SI2 (sacha inchi 2:10 parts water), SI3 (sacha inchi 3:10 parts water), SI4 (sacha inchi 4:10 parts water), and SI5 (sacha inchi 5:10 parts water). Organoleptic tests are carried out by assessing the aspects of taste, color and aroma of the product with a score range of 1 (least preferred) - 5 (most preferred). The results of the organoleptic test showed that the most preferred sacha inchi peanut milk formulation was SI5 with a preference level reaching a score of 4.48. The SI5 formulation is more dominantly preferred because it is richer in taste, color and aroma. Then continued with physicochemical testing which includes water content, ash content, fat content, protein content, carbohydrate content, calcium content, pH, and viscosity and IC50 antioxidant activity test using UV-Vis Spectrophotometer instrument. The results of physicochemical tests and IC50 antioxidant activity conducted in this study were respectively: water content (74.10%), ash content (0.65%), fat content (19.15%), protein content (4.29%), carbohydrate content (1.82%), calcium content (0.043%), pH (6.01), viscosity (209 mPa∙S), and IC50 antioxidant activity (429.10 ppm).