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Synthesis of 4-(5-(2,3-Dimenthoxyphenyl)-3-(4-Methoxyphenyl)-4,5-Dihydro-1H-Pyrazol-1-y1) Benzenesulfonamide as a Promosing Tyrosinase Inhibitor Candidate Rahayu, Rahayu; Herfindo, Noval; Oscifiani, Nelly; Frimayanti, Neni; zamri, Adel
Jurnal Riset Kimia Vol 13, No 1 (2022): March
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jrk.v13i1.486

In this study, titled compound 5 has been successfully synthesized with 93% yield. The pyrazoline compound was obtained from the cyclocondensation reaction of 4-hydrazinylbenzenesulfonamide 3 with chalcone (E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one 4 under basic conditions. The molecular structure was confirmed through analysis of FTIR, NMR and HRMS spectroscopic data. Furthermore, its tyrosinase enzyme inhibitory activity was determined through in vitro assay against tyrosinase of Agaricus bisporus. However, the pyrazoline compound 5 showed lower inhibitory activity than the positive control, kojic acid, whereas the IC50 value of the compound 5 is higher than that of kojic acid. The compound 5 IC50 value was 262.15 ÂµM, while kojic acid IC50 value was 88.52 ÂµM.

Synthesis of 4-(5-(2,3-Dimenthoxyphenyl)-3-(4-Methoxyphenyl)-4,5-Dihydro-1H-Pyrazol-1-y1) Benzenesulfonamide as a Promosing Tyrosinase Inhibitor Candidate Rahayu Rahayu; Noval Herfindo; Nelly Oscifiani; Neni Frimayanti; Adel zamri
Jurnal Riset Kimia Vol. 13 No. 1 (2022): March
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jrk.v13i1.486

In this study, titled compound 5 has been successfully synthesized with 93% yield. The pyrazoline compound was obtained from the cyclocondensation reaction of 4-hydrazinylbenzenesulfonamide 3 with chalcone (E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one 4 under basic conditions. The molecular structure was confirmed through analysis of FTIR, NMR and HRMS spectroscopic data. Furthermore, its tyrosinase enzyme inhibitory activity was determined through in vitro assay against tyrosinase of Agaricus bisporus. However, the pyrazoline compound 5 showed lower inhibitory activity than the positive control, kojic acid, whereas the IC50 value of the compound 5 is higher than that of kojic acid. The compound 5 IC50 value was 262.15 ÂµM, while kojic acid IC50 value was 88.52 ÂµM.

Synthesis, Antiproliferative Activity and Molecular Docking Studies of 1,3,5-Triaryl Pyrazole Compound as Estrogen α Receptor Inhibitor Targeting MCF-7 Cells Line Noval Herfindo; Riska Prasetiawati; Daniel Sialagan; Neni Frimayanti; Adel Zamri
Molekul Vol 15, No 1 (2020)
Publisher : Universitas Jenderal Soedirman

This research has been successfully synthesized three compounds of 1,3,5-triaryl pyrazole derivatives by two steps reaction. Firstly, pyrazoline (4a-c) compound was obtained by one-pot reaction of aromatic ketones, aldehyde and hydrazine in basic condition. Then, pyrazole (5a-c) compound was obtained by oxidative aromatization of compound 4 in the presense of acetic acid. Chemical structure of predicted molecules was confirmed by FTIR, NMR and HRMS spectroscopy data analysis. Antiproliferative activity of compound 5a-c were evaluated by in vitro assay against MCF-7 cells line and molecular docking simulation against ERα (PDB ID: 3ERT) using MOE 2019. Biological evaluation result showed that pyrazole compounds had weak antiproliferative activity against MCF-7 cells with IC50 were > 1000 µM, whereas the docking studies agrees the result.

Synthesis and Molecular Docking Study of 1-(3-Chloropropyl)-3,5-Bis((E)-4-Methoxybenzylidene)Piperidin-4-One as Dengue Virus Type 2 (DEN2) NS2B/NS3 Protease Inhibitor Candidate Romi Habibi; Noval Herfindo; Rudi Hendra; Hilwan Y. Teruna; Adel Zamri
Pharmacology and Clinical Pharmacy Research Vol 5, No 1
Publisher : Universitas Padjadjaran, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15416/pcpr.v5i1.25624

Curcumin is a secondary metabolite compound that has diverse biological activities. However, it is easily hydrolyzed at physiological pH due to the presence of the β-diketone group. Therefore, the replacement of the β-diketone group with mono ketone is expected to overcome this issue. We hereby report the synthesis of mono ketone curcumin derivatives from piperidone by two-steps reactions. The synthesis of curcumin derivate 3 was carried out by Claisen-Schmidt condensation between 4-piperidone and 4-methoxybenzaldehyde using alkaline catalyst. The synthesized curcumin derivate 3 was then reacted with the 1-bromo-3-chloropropane to produce curcumin derivate 5, 1-(3-chloropropyl)-3.5-bis((E)-4-methoxybenzylidene)piperidin-4-one, with 72% yield. The calculated docking scores, the curcumin derivate 5 possessed a better affinity for receptors than the standard panduratin A. The curcumin derivate 5 has a lower docking score of -6.40 kcal/mol compared to panduratin A with value of -5.18 kcal/mol and also had strong binding interactions to DEN2 NS2B/NS3 protease. Thus, this compound is promising candidate as a new anti-dengue agent.

Synthesis and Tyrosinase Inhibitory Activity of (E)-5-Benzyl-7- (3-Bromobenzylidene)-3-(3-Bromophenyl)-2-Phenyl-3,3a, 4,5,6,7-Hexahydro-2H-Pyrazolo[4,3-c]Pyridine Nelly Oscifiani; Noval Herfindo; Rahayu Rahayu; Neni Frimayanti; Adel Zamri
Jurnal Kimia Sains dan Aplikasi Vol 25, No 5 (2022): Volume 25 Issue 5 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

The tyrosinase enzyme plays an essential role in the pigmentation of human skin, fruits, and vegetables. It has been tied with several human skin diseases and post-harvest problems. Hence, the tyrosinase enzyme becomes an excellent therapeutic target to overcome these issues. This study aimed to screen tyrosinase inhibitors by synthesizing halogen-substituted pyrazolopyridine derivatives. The pyrazolopyridine compound was obtained through two stages of synthesis. First, the intermediate compound, a derivative of 3,5-bis(arylidene)-4-piperidone, was synthesized through the Cleisen-Schmidt condensation reaction of 4-piperidone and benzaldehyde derivatives. Furthermore, the intermediate compound was reacted with phenylhydrazine through a cyclocondensation reaction to produce the titled compound with an 11% yield. The chemical structure of the target compound was identified through the interpretation of UV, FTIR, NMR, and HRMS spectra. Then an in vitro assay was conducted on the tyrosinase enzyme of the fungus Agaricus bisporus by detecting the presence of dopachrome at a wavelength of 492 nm. As a result, the in vitro assay showed that the titled compound had a weak inhibitory activity, and the IC50 value was > 500 µM. Thus, the synthesized compound is considered inactive.

Docking and Molecular Dynamic Simulations Study to Search Curcumin Analogue Compounds as Potential Inhibitor Against SARS-CoV-2: A Computational Approach Neni Frimayanti; Adel Zamri; Yum Eryanti; Noval Herfindo; Veza Azteria
Jurnal Kimia Sains dan Aplikasi Vol 24, No 3 (2021): Volume 24 Issue 3 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Coronavirus is a pandemic in the world. It requires researchers and scientists to work hard to find a vaccine or drug to inhibit the development of the coronavirus. Many drugs have been used, such as remdesivir, lopinavir, and chloroquine. However, how effective is the use of these drugs for inhibiting the coronavirus’s growth? There is no research has been done. Curcumin is now known as one of the compounds that have some biological activities, and it is also can potentially be used as a CoV-2 inhibitor. The computational study, i.e., molecular docking and molecular dynamic, can help researchers to predict which compounds have the potential as an inhibitor against the CoV-2 coronavirus. In this study, lopinavir was used as a positive control. Lopinavir and 45 curcumin analog compounds were docked against the main protease protein with 6LU7 PDB ID. Based on the docking results, it was discovered that compound 1, compound 2, and compound 4 have the same binding orientation as lopinavir. Molecular dynamic simulation with the lowest binding free energy conformation was used to check these compounds’ stability. Only compound 4 was maintained to observe hydrogen bonding with Lys5 and Lys137 with a distance of 2.9 Å. The distance of hydrogen bonds and binding free energy over simulation time is essential to elucidate the potential compound’s affinity. For then, compound 4 can be used as a potential inhibitor against the CoV-2 coronavirus.

SYNTHESIS AND α-GLUCOSIDASE INHIBITORY EVALUATION OF N-BENZENESULFONYL PYRIDAZINONE Noval Herfindo; Fadila Aisyah
Jurnal Penelitian Farmasi Indonesia Vol 14 No 2 (2025): JPFI
Publisher : Pusat Penelitian dan Pengabdian Masyarakat (P3M) Sekolah Tinggi Ilmu Farmasi Riau

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51887/jpfi.v14i2.2172

Turunan piridazinon diketahui memiliki berbagai aktivitas biologis, termasuk potensi sebagai antidiabetik melalui penghambatan enzim α-glukosidase. Pada penelitian ini, turunan N-benzensulfonil piridazinon, yaitu 6-(3-bromofenil)-2-(fenilsulfonil)piridazin-3(2H)-on (7), telah disintesis dan dikonfirmasi strukturnya menggunakan analisis FTIR, ¹H-NMR, dan HRMS. Studi molecular docking dilakukan menggunakan struktur α-glukosidase lisosomal manusia (PDB ID: 5NN5) untuk memprediksi afinitas ikatan dan interaksi kunci pada sisi aktif enzim. Hasil docking menunjukkan bahwa senyawa 7 memiliki binding score (S) sebesar –10,96, lebih tinggi dibandingkan akarbosa (S = –18,24), serta menghasilkan interaksi ikatan hidrogen yang lebih sedikit. Uji penghambatan α-glukosidase secara in vitro menggunakan enzim α-glukosidase Saccharomyces cerevisiae menunjukkan aktivitas yang lemah, di mana senyawa 7 hanya menghambat enzim sebesar 2,5% pada konsentrasi 50 μM, dibandingkan 47,8% oleh akarbosa. Meskipun sesuai prediksi docking, kelarutan senyawa 7 yang sangat rendah diduga berkontribusi terhadap perbedaan signifikan aktivitas biologis tersebut. Dengan demikian, kerangka piridazinon tetap menjadi struktur yang menjanjikan untuk dimodifikasi lebih lanjut guna meningkatkan potensi dan khususnya kelarutan senyawanya. Pyridazinone derivatives are known for a wide range of biological activities, including potential antidiabetic properties through α-glucosidase inhibition. In this study, the N-benzenesulfonyl pyridazinone derivative, 6-(3-bromophenyl)-2-(phenylsulfonyl)pyridazin-3(2H)-one (7) was synthesized and confirmed its structure by using FTIR, 1H-NMR, and HRMS analyses. Molecular docking was performed using the human lysosomal α-glucosidase structure (PDB ID: 5NN5) to predict its binding affinity and key interactions within the active site. Docking results showed that compound 7 exhibited a binding score (S) of –10.96, lower than that of acarbose (S = –18.24), and formed fewer hydrogen-bond interactions. The in vitro α-glucosidase inhibitory assay using Saccharomyces cerevisiae α-glucosidase demonstrated weak activity, where compound 7 inhibited the enzyme by only 2.5% at 50 μM, compared to 47.8% inhibition by acarbose. Although the result as predicted, the poor solubility of compound 7 may have contributed to significant difference of their biological activity. Therefore, the pyridazinone scaffold remains a promising structural framework for further modification to enhance potency and specifically its solubility.

Program GLOW (Generation Learn on Wellness) untuk Meningkatkan Pengetahuan Remaja tentang Skincare Herbal Aulia Fitri; Syilfia Hasti; Noval Herfindo; Riyanto Riyanto; Alham Arrahman; Violla Febriani; Weri Apriella; Winda Mailinda; Wirahma Indah Pratiwi; Wulan Desmawati; Wulan Octavia P. Muchani; Yabda Alib Oktaria; Zaviqa Varhanna
Jurnal Garuda Pengabdian Kepada Masyarakat Vol 4 No 1 (2026)
Publisher : Ali Institute of Research and Publication

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55537/gabdimas.v4i1.1386

Remaja khususnya kalangan SMA/SMK sederajat, menjadi salah satu segmen konsumen yang menggunakan produk skincare. Penting untuk diingat bahwa masa remaja adalah periode kritis di mana kulit sedang mengalami perubahan hormonal. Di usia remaja, mereka mulai mengeksplorasi berbagai produk kecantikan untuk mendukung penampilan. Sayangnya, pemahaman mereka mengenai keamanan produk kosmetik masih terbatas. Studi menunjukkan bahwa kurangnya literasi tentang komposisi bahan aktif, cara penggunaan yang benar, dan efek samping produk skincare dan kosmetik dapat meningkatkan risiko masalah kulit, seperti alergi, iritasi, dan bahkan kerusakan jangka Panjang. pada kegiatan ini terdapat 52 peserta. Sampel diambil melalui pengisian kuesioner yaitu pre test dan post test, kemudian sampel direkapitulasi selanjutnya dianalisis. Pada Post test terjadi peningkatan pemahaman terkait materi yang disampaikan jika dibandingkan dengan pre test yang diberikan sebelum pemateri memaparkan materi. Hal ini berdasarkan pada nilai pengetahuan/sikap/praktik saat post test mendapat persentase sebesar 92,31%.

Synthesis and Molecular Docking Study of 4-(3-(2-Chlorophenyl)-5-(2-Methoxyphenyl)-4,5-Dihydro-1H-Pyrazol-1-yl) Benzenesulfonamide as Antibreast Cancer Agent Eka Marisa Putri; Noval Herfindo; Guntur Guntur; Neni Frimayanti; Adel Zamri
ALCHEMY Jurnal Penelitian Kimia Vol 18, No 1 (2022): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.18.1.48298.30-36

Breast cancer is a disease in which cells in the breast tissue change and divide in an uncontrolled way. Pyrazoline is a promising agent reported against cancer. In this work, we have synthesized pyrazoline 4-(3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl) benzenesulfonamide (EMP-1). The reaction was successfully carried out in one-pot three components from 2-chloroacetophenone, 2-methoxybenzaldehyde, and 4-hydrazinylbenzenesulfonamide as starting materials. The reaction was conducted by assisting the irradiation of Monowave 50 (Anton-Paar) with a high yield of 91%. Its potential anti-breast cancer was investigated by molecular docking and dynamic studies. The molecular docking study showed that EMP-1 had binding energy of -7.17 kcal/mol. The spatial arrangement of EMP-1 was similar to the positive control of doxorubicin. These results indicate that EMP-1 compound potentially developed as anti-breast cancer.

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