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Studi Molecular Docking dan Evaluasi Farmakokinetik Senyawa Analog Pirazol Turunan Benzen-Sulfonilurea sebagai Inhibitor Enzim Aldose Reduktase and α-Glukosidase Menggunakan Pendekatan In Silico Fatisa, Yuni; Utami, Lisa; Syahri, Jufrizal; Jasril, Jasril; Lazulva, Lazulva
Jurnal Riset Kimia Vol. 15 No. 2 (2024): September
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jrk.v15i2.633

Abstract

The pyrazole scaffold modification in various chemical structures on several studies has shown various biopharmacological activities. This study aims to predict the potential inhibition of pyrazole analogs derived benzene-sulfonylurea (4A, 4B, 4E, 5A, 5C, 5D) against the α-glucosidase (3A4A) and aldose reductase (3RX2) enzymes based on a molecular docking approach using Molecular Operating Environment (MOE) 2020.0102 software and evaluate pharmacokinetic profile (ADMET). In this study, the six test compounds were obtained from previous studies that have been proven antihyperglycemic. The results showed that all the 3,5-disubstituted benzene-sulfonylurea derivative pyrazole analogs are predicted to have low inhibitory activity against the α-glucosidase enzyme. Further, all compounds showed good aldose reductase inhibitor activity and had lower binding free energy values ​​than tolrestat as the positive control (-6.82 kcal/mol). Compound 5C has the best potential inhibitory activity against the aldose reductase enzyme compared to the other test compounds, because it has the lowest binding free energy value (-8.76 kcal/mol) and interacts with important residues on the receptor forming four hydrogen bonds, namely the carbonyl group of SO2 with residues Trp111 and His110, and the carbonyl group of the amide with residues His110 and Tyr48, as well as 3 hydrophobic bonds, namely a pyrazole ring with residues Leu300, Trp219 and a furan ring with Phe122. ADMET properties of the compounds are also predicted. This information provides an opportunity for a 5C compound as an aldose reductase inhibitor agent to develop drug candidates with better and safer activities.
Pengukuran Total Fenolik, Flavonoid, Aktivitas Antioksidan dan Antidiabetes Ekstrak Etil Asetat Daun Katemas (Euphorbia heterophylla, L.) Secara In Vitro dan In Silico Melalui Inhibisi Enzim α-Glukosidase Rahmiwati Hilma; Netti Gustina; Jufrizal Syahri
ALCHEMY Jurnal Penelitian Kimia Vol 16, No 2 (2020): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.16.2.40087.240-249

Abstract

Tujuan dari penelitian ini adalah untuk mengetahui aktivitas antioksidan dan antidiabetes ekstrak etil asetat daun katemas (Euphorbia heterophylla L.) secara in vitro dan in silico melalui inhibisi terhadap enzim α-glukosidase. Pada penelitian ini ekstraksi sampel dilakukan menggunakan maserasi bertingkat, dimulai dengan n-heksana, selanjutnya dengan etil asetat. Ekstrak etil asetat yang didapatkan dilakukan pengujian kuantitiatif total fenolik dan flavonoid. Uji aktivitas antioksidan terhadap ekstrak dilakukan menggunakan metode DPPH. Uji aktivitas antidiabetes terhadap ekstrak dilakukan secara in vitro dan in silico melalui inhibisi terhadap enzim α-glukosidase menggunakan akarbose sebagai standar. Uji aktivitas antidiabetes terhadap kandungan senyawa bioaktif ekstrak secara in silico atau molecular docking menggunakan software Discovery Studio 4.1. Hasil penelitian menunjukkan bahwa nilai total fenolik dari ekstrak adalah 4,24 mg GAE/g berat kering dan nilai flavonoid total adalah: 3,22 mg KE/g berat kering. Hasil uji aktivitas antioksidan ekstrak didapatkan nilai IC50 sebesar 37,56 µg/mL, digolongkan sebagai aktivitas antioksidan yang sangat kuat. Hasil uji aktivitas antidiabetes secara in vitro didapatkan nilai IC50 sebesar 138,63 µg/mL. Hasil molecular docking memperlihatkan bahwa senyawasenyawa aktif yang terdapat didalam ekstrak mampu membentuk ikatan hidrogen antara ligan dengan reseptor, tapi lebih sedikit jika dibandingkan dengan akarbose.Measurement of Total Phenolic, Flavonoids, Antioxidant and Antidiabetic Activity of Catemas Leaf Ethyl Acetate Extract (Euphorbia heterophylla L.) by In Vitro and In Silico through Enzim α-Glucosidase Inhibition. This study aims to determine the antidiabetic activity of katemas (Euphorbia heterophylla L.) ethyl acetate extract in vitro and in silico through inhibition of the αglucosidase enzyme. In this study, the sample extraction was carried out by multilevel maceration, starting with n-hexane, then with ethyl acetate. The ethyl acetate extract obtained was quantitatively tested by total phenolic and flavonoids. The antioxidant activity of the extract was tested using the DPPH method. The antidiabetic activity of the extract was examined through inhibiting the enzyme αglucosidase in vitro using a microplate reader and in silico (molecular docking) using Discovery Studio 4.1 software. The results showed that the total phenolic value of the extract was 4.24 mg GAE/g of dry weight, and the total flavonoid value was 3.22 mg KE/g of dry weight. Antioxidant activity test obtained IC50 of 37,56 µg/mL, classified as verry strong antioxidant. The in vitro antidiabetic test examined that IC50 is 138.63 µg/mL. The results of molecular docking showed that the active compounds in the extracts are able to form hydrogen bonds between ligand and receptor; however, the amount was less than the hydrogen bonds formed by acarbose.
EVALUASI PRAKTIKUM KIMIA UNTUK GURU SEKOLAH MENENGAH SE-RIAU: KAJIAN KEPUASAN DAN PENGUATAN KOMPETENSI PRAKTIS Meidita Kemala Sari; Hasmalina Nasution; Sri Hilma Siregar; Prasetya Prasetya; Jufrizal Syahri; Rahmiwati Hilma; Rahmadini Syafri; Desi Asda Mora; Putri Apriliani Khorely
Devote: Jurnal Pengabdian Masyarakat Global Vol. 5 No. 2 (2026): Devote : Jurnal Pengabdian Masyarakat Global, June 2026
Publisher : LPPM Institut Pendidikan Nusantara Global

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55681/devote.v5i2.6039

Abstract

The Assisted School Program, launched by the Department of Chemistry at Universitas Muhammadiyah Riau (UMRI), aims to enhance the laboratory skills of high school chemistry teachers in Riau Province. The program addresses the need for stronger practical skills and a better understanding of laboratory safety, given limited access to modern equipment and current experimental methods in schools. Its primary goal is to provide teachers with technical and pedagogical competencies through project-based laboratory training in Laboratory Safety, Volumetric Analysis, Gravimetric Analysis, UV-Vis Spectrophotometry, and Adsorption.The program combined theoretical lectures, hands-on laboratory demonstrations, and pre- and post-test evaluations to measure knowledge gains. Twenty chemistry teachers from different schools in Riau participated. Results showed a significant improvement in post-test scores and high satisfaction levels. The overall service quality received an average rating of 4.95 out of 5, with the UV-Vis Spectrophotometry and Adsorption session achieving the highest satisfaction score of 4.80. No significant differences were found among schools, indicating the program’s equitable impact. These results demonstrate that the Assisted School Program effectively improves teachers’ professional competence, promotes safer, more modern laboratory practices, and provides a strong foundation for sustainable collaboration among universities, schools, and industry.
Red Ginger Essential Oil (Zingiber officinale var. Rubrum) as a Biolarvicide in the Control of Aedes Aegypti Mosquitoes Denai Wahyuni; Wulan Sari; Jasril Jasril; Jufrizal Syahri
Jurnal Kesehatan Masyarakat Vol. 20 No. 4 (2025)
Publisher : Universitas Negeri Semarang in collaboration with Ikatan Ahli Kesehatan Masyarakat Indonesia (IAKMI Tingkat Pusat) and Jejaring Nasional Pendidikan Kesehatan (JNPK)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/kemas.v20i4.1558

Abstract

Synthetic larvicides are often used to control Aedes aegypti mosquitoes, but they are detrimental to humans, the environment, and the occurrence of resistance. The purpose of the study was to determine the influence and effectiveness of red ginger essential oil (Zingiber officinale var. Rubrum) as the biolarvicide of Ae. Aegypti and the most effective concentration (LC50). A total of 25 instar 3 larvae with concentrations of 200, 400, 600, and 800 ppm and K+(temephos), K-(aquaade), four repetitions every 30 minutes of observation for 3 HSPs. The results of the study showed that red ginger essential oil affected the death of Ae. Aegypti larvae. There was a significant difference in mortality rates between concentrations (Kruskal-Wallis test, p = 0.001). Likewise, there was a moderate but significant correlation between concentration and mortality (Spearman correlation: r = +0.503, p = 0.001). The probit analysis, LC50 was 257.89 ppm, most effectively influencing mortality in Ae. Aegypti larvae based on LC50. Red ginger essential oil (Zingiber officinale var. Rubrum) is effective and effective as a bio-larvicide to control Ae. aegypti so that it can reduce dengue fever cases.