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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

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (3372.986 KB) | DOI: 10.20884/1.jm.2020.15.1.585

Abstract

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.
Molekular Docking Senyawa Analog Kalkon sebagai Inhibitor untuk Sel Kanker Paru-Paru A549 Neni Frimayanti; Meiriza Djohari; Alifah Nurul Khusnah
JURNAL ILMU KEFARMASIAN INDONESIA Vol 19 No 1 (2021): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35814/jifi.v19i1.765

Abstract

Chalcones are compounds derived from nature, it is show the anticancer activity. The aim of thisstudy is to determine the binding free energy (affi nity) and interaction of chalcone derivatives as inhibitors for A549 lung cancer cells using 4HFZ protein as receptors. This study used 10 chalcone derivatives which were selected with three lowest IC50 values, fi ve medium IC50 values and two with higher IC50 values (i.e. more than 100 μg/mL) and 4HFZ protein was used as receptor. The structure of the chalcone derivative is transformed in 3D structure, then the docking process of chalcone compounds with amino acids on the MDM2 receptor (4HFZ) is carried out. The simulation results shown that data in the form of binding free energy value (kcal / mol) shown the stability of ligand interaction of chalcone compounds on amino acids on MDM2 receptors. The docking results shown that, compound 2 is able to bind strongly with MDM2 receptor (4HFZ) and it is also stable because it has a low binding-free energy value of -7.2 kcal / mol, with a RMSD value of 0,000. Construction of some hydrogen bonds is the same as active receptor (gefi tinib), they are Leu54 on the NH2.
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

Abstract

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.
Studi In Silico, Sintesis, dan Uji Sitotoksik Senyawa P-Metoksi Kalkon terhadap Sel Kanker Payudara MCF-7 Rahma Dona; Neni Frimayanti; Ihsan Ikhtiarudin; Benni Iskandar; Fikri Maulana; Nova Tantri Silalahi
Jurnal Sains Farmasi & Klinis Vol 6, No 3 (2019): J Sains Farm Klin 6(3), Desember 2019
Publisher : Fakultas Farmasi Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (48.117 KB) | DOI: 10.25077/jsfk.6.3.243-249.2019

Abstract

Kalkon (1,3-difenil-2-propene-1-on) adalah salah satu senyawa golongan flavonoid yang memiliki beragam aktivitas biologis diantaranya sebagai antikanker. Penelitian ini bertujuan untuk mengetahui  efek sitotoksik analog kalkon (E)-3-(4-metoksifenil)-1-fenilprop-2-en-1-on dengan menggunakan teknik komputerisasi (docking), senyawa analog kalkon tersebut disintesis menggunakan reaksi kondensasi Claisen-Schmidt dengan katalis basa secara metode iradiasi gelombang mikro. Studi in silico ini dilakukan antara senyawa kalkon dengan  protein dengan kode PDB ID P521 dengan menggunakan program AutoDock Vina, sedangkan uji aktivitas sitotoksik senyawa kalkon dilakukan terhadap sel kanker payudara MCF-7 menggunakan metode WST-8. Berdasarkan hasil docking, senyawa kalkon (E)-3-(4-metoksifenil)-1-fenilprop-2-en-1-on memiliki potensi sebagai penghambat aktif terhadap sel kanker payudara MCF-7 ditandai dengan senyawa ini memiliki nilai energi bebas ikatan yang lebih kecil dibandingkan doxorubicin sebagai pembanding; memiliki 4 persamaan asam amino dengan doxorubicin dimana interaksi yang terbentuk terdiri dari 4 jenis ikatan yaitu ikatan hidrogen, ikatan van der Waals, ikatan pi-sigma dan ikatan pi –alkil.  Dari hasil uji sitotoksik antara sel kanker MCF-7 dan senyawa kalkon diperoleh nilai IC50 sebesar 48,18 µg/mL. Dari penelitian tersebut dapat disimpulkan bahwa senyawa analog kalkon (E)-3-(4-metoksifenil)-1-fenilprop-2-en-1-on dapat berpotensi sebagai inhibitor terhadap sel kanker payudara MCF-7
Evaluasi Sifat Fisik dan Uji Kelembaban Sediaan Losion Yang Dijual Secara Online-Shop Benni Iskandar; Neni Frimayanti; Ferdy Firmansya; Tiara Tri Agustini; Dea Dwi Putri
Jurnal Dunia Farmasi Vol 4, No 1 (2019): Edisi Desember
Publisher : Program Studi Farmasi, Fakultas Farmasi dan Kesehatan, Institut Kesehatan Helvetia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33085/jdf.v4i1.4561

Abstract

Pendahuluan: Perkembangan industri kosmetika menyebabkan banyaknya produk losion racikan beredar di online-shop dengan jenis, fungsi, harga ataupun variasi komposisi. Tetapi, banyak produk online-shop belum memiliki izin edar yang dikeluarkan oleh BPOM, sehingga dikhawatirkan memiliki tingkat keamanan yang rendah dikalangan masyarakat. Tujuan: Untuk menguji sifat fisik dan kelembaban sediaan losion racikan yang dijual di online shop. Metode: Penelitian ini melakukan pemeriksaan organoleptis, homogenitas, uji pH, stabilitas fisik, tipe losion, daya sebar, daya tercuci, uji iritasi, dan uji kelembaban. Hasil:  Semua uji sifat fisik memenuhi syarat kecuali uji pH yaitu hanya losion C yang sesuai dengan pH kulit dan peningkatan persentase kelembaban kulit setelah pemakaian losion pada panelis wanita lebih besar dibandingkan pria. Kesimpulan: Sediaan losion racikan memiliki sifat fisik yang baik selama penyimpanan suhu kamar dan suhu dingin dalam waktu 8 minggu, pH losion berkisar antara (6,2-7,4) dan dapat meningkatkan kelembaban kulit dengan hasil persentase 30%-60% . 
Simulasi Molecular Dynamic (MD) Senyawa Analog Kalkon Sebagai Inhibitor Untuk Sel Kanker Paru A549 Neni Frimayanti
Jurnal Penelitian Farmasi Indonesia Vol. 9 No. 2 (2020): JPFI
Publisher : Lembaga Penelitian Sekolah Tinggi Ilmu Farmasi Jl. Kamboja Simpang Baru-Panam, Pekanbaru, Riau 28293 Telp. (0761) 588006, Fax. (0761) 588007 e-mail: editor-jpfi@stifar-riau.ac.id

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51887/jpfi.v9i2.852

Abstract

Senyawa kalkon merupakan senyawa yang berasal dari alam yang sudah terbukti memiliki aktivitas sebagai antikanker. Penelitian ini bertujuan untuk mengetahui kestabilan senyawa analog kalkon yang telah di-docking sebagai inhibitor bagi kanker paru A549. Penelitian ini menggunakan 3 senyawa analog kalkon yang diperoleh dari penelitian sebelumnya dengan menggunakan gefitinib sebagai kontrol positifnya. Studi simulasi molecular dynamic ini dilakukan menggunakan komputer dengan software MOE 2007.09. Data hasil simulasi berupa nilai energi konformasi (kcal/mol), ikatan hidrogen, dan kesamaan asam amino yang menunjukkan kestabilan interaksi ligan senyawa kalkon terhadap asam amino pada reseptor. Hasil molecular dynamic menunjukkan bahwa dari 3 senyawa yang disimulasikan senyawa 5 adalah yang paling stabil karena memiliki nilai energi konformasi yang rendah yaitu -4.050,14 kcal/mol dan terdapat dua asam amino yang membentuk ikatan hidrogen dengan sisi aktif reseptor yaitu Arg655 dan Tyr100, serta memiliki 6 residu asam amino yang sama dengan hasil docking.
UJI AKTIVITAS ANTIBAKTERI INFUSA DAUN SIRIH (Piper betle L.) TERHADAP BAKTERI Escherichia coli Hasyrul Hamzah; Amrina Rossada Septilapani; Neni Frimayanti
Jurnal Penelitian Farmasi Indonesia Vol. 10 No. 2 (2021): JPFI
Publisher : Lembaga Penelitian Sekolah Tinggi Ilmu Farmasi Jl. Kamboja Simpang Baru-Panam, Pekanbaru, Riau 28293 Telp. (0761) 588006, Fax. (0761) 588007 e-mail: editor-jpfi@stifar-riau.ac.id

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51887/jpfi.v10i2.1434

Abstract

Research has been carried out on the antibacterial activity test of betel leaf infusion against Escherichia coli bacteria by solid dilution method. This study aims to determine the antibacterial activity of betel leaf infusion (Piper betle L.) against Escherichia coli bacteria. Bacterial control used a bacterial suspension dilution of 10-5 with a colony count of 212.33 colonies/mL and the control media showed that the media used was free from contamination. The results of the antibacterial research showed that the infusion of betel leaf had activity in inhibiting the growth of Escherichia coli bacteria at an infusion concentration of 25% with the number of colonies 188.33 colonies/mL, 50% with the number of colonies 160.66 colonies/mL, 75% with the number of colonies 137, 33 colonies/mL and 100% with the number of colonies 106.33 colonies/mL. The results of data analysis with the percentage decrease in the number of betel leaf infusion colonies against Escherichia coli bacteria that the higher the betel leaf infusion concentration, the less the number of bacterial colony growth, there was a difference marked by the difference in the number of bacterial colonies between control bacteria and the number of bacterial colonies at each concentration infusion.
SINTESIS, KARAKTERISASI STRUKTUR, DAN KAJIAN MOLECULAR DOCKING SENYAWA 4’-METOKSI FLAVONOL SEBAGAI INHIBITOR MAIN PROTEASE (MPro) SARS-CoV-2 Ihsan Ikhtiarudin; Nesa Agistia; Neni Frimayanti; Enda Mora; Rahma Dona; Nofriyanti; Rosnita Dewi Rahmawati; Adel Zamri
Majalah Farmasi dan Farmakologi Vol. 26 No. 1 (2022): MFF
Publisher : Faculty of Pharmacy, Hasanuddin University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20956/mff.v26i1.18652

Abstract

Main protease (MPro) merupakan salah satu protein yang memiliki peran penting dalam proses replikasi virus SARS-CoV-2. Beberapa studi in silico dan in vitro telah menunjukkan bahwa senyawa flavonoid baik alami maupun sintetis memiliki potensi yang menjanjikan untuk dikembangkan sebagai antivirus SARS-CoV-2. Penelitian ini bertujuan untuk mensintesis senyawa 4'-metoksi flavonol dan mengeksplorasi potensinya sebagai inhibitor MPro SARS-CoV-2. Sintesis dilakukan menggunakan senyawa awal 2'-hidroksi-4-metoksi kalkon melalui reaksi Algar-Flynn-Oyamada (AFO) dengan metode pengadukan (stirring method). Selanjutnya, kajian molecular docking dilakukan menggunakan struktur kristal MPro SARS-CoV-2 yang diunduh dari website RCSB Protein Data Bank (PDB ID: 6M2N). Hasil sintesis senyawa 4'-metoksi flavonol diperoleh rendemen produk sebesar 37,72 % dan struktur produk hasil sintesis telah dikonfirmasi melalui analisis spektroskopi UV-Vis, FT-IR, dan 1H NMR. Selanjutnya, hasil kajian molecular docking menunjukkan bahwa senyawa 4’-metoksi flavonol dapat membentuk ikatan hidrogen dengan dua residu penting pada sisi aktif 6M2N, yaitu Glu166 dan Gln189, dengan nilai energi bebas ikatan sebesar -7,13 kcal/mol dan nilai RMSD sebesar 1,45. Hasil kajian ini menunjukkan bahwa senyawa 4'-metoksi flavonol dapat terikat dengan lebih mudah pada sisi aktif MPro SARS-CoV-2 dibandingkan dengan baicalein sebagai senyawa flavonoid pembanding yang telah terbukti secara in vitro dapat menghambat aktivitas proteolitik MPro SARS-CoV-2.
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

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (412.312 KB) | DOI: 10.14710/jksa.25.5.185-191

Abstract

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.
Microwave-assisted synthesis of 1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one and its activities as an antioxidant, sunscreen, and antibacterial Ihsan Ikhtiarudin; Nesa Agistia; Neni Frimayanti; Tria Harlianti; Jasril Jasril
Jurnal Kimia Sains dan Aplikasi Vol 23, No 2 (2020): Volume 23 Issue 2 Year 2020
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (569.264 KB) | DOI: 10.14710/jksa.23.2.51-60

Abstract

Chalcone analogs have been reported to have a variety of exciting biological activities, such as anticancer, anti-inflammatory, antioxidant, photoprotective, antibacterial, and antidiabetic activities. Therefore, analogs of these compounds have been widely synthesized as intermediate compounds or target molecules in the discovery of bioactive compounds to be applied in the pharmaceutical field. The purpose of this study is to synthesize chalcone analog compounds (E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl) prop-2-en-1-on with the microwave irradiation method and explore some of the biological activities of these compounds, including testing the antioxidant activity by 1,1-diphenyl-2-picrylhydrazyl (DPPH) method, in vitro sunscreen activity by microplate method, and antibacterial activity by disk diffusion method. DPPH test results indicate that the compound has weak antioxidant activity, with an IC50 value of 300.43 µg/mL. However, the compound showed excellent potential as a UV B and UV A filter at a concentration of 150 µg/mL with a value of %Te of 0.73±0.10% (sunblock), %Tp of 0.07±0.00% (sunblock), SPF value of 21.10±1.46 (ultra-protection) and potentially better than benzophenone-3 as a standard sunscreen. Then, disk diffusion testing showed that the compound had weak antibacterial activity against Staphylococcus aureus and did not show antibacterial activity against Escherichia coli bacteria at test concentrations of 30, 60, and 120 µg/disk.
Co-Authors Abdi Wira Septama Abdi Wira Septama Adel Zamri Adel Zamri Adel Zamri Adel Zamri Adel Zamri Adel zamri Adel Zamri Adel Zamri Adel Zamri Adel Zamri Adel Zamri agistia, nesa Agustini, Tiara Tri Alifah Nurul Khusnah Amrina Rossada Septilapani Anfasa Mashudi, Fristio Anggraeni, Ica Winanda Anita Lukman Annisa Yuri Amalia Armon Fernando Bella Parina, Ana BENNI ISKANDAR Daniel Sialagan Dea Dwi Putri Della Vasmawati Denisya amanda Difa, Faradini Ramsanjami Efendi, Apriyani Eka Marisa Putri Elsa Etavianti Elsa Natia Elvi Khairani, Mai Elviyenti, Elviyenti Emma Susanti Enda Mora Etavianti, Elsa Fadiyah Yueflen Fatmalia, Anggun Ferdy Firmansya Ferdy Firmansyah Fharisti Kirana Fikri Maulana Fikri Maulana, Fikri Fina Aryani, Fina Fri Murdiya, Fri Furi, Mustika Guntur Guntur Haiyul Fadhli Hamzah, Hasyrul Haryeni Sastra Anggraini Hendra, Rudi Herfindo, Nofal Herfindo, Noval Hery Widijanto Hilwan Y. Teruna Hilwan Yuda Teruna Husnawati Husnawati Ihsan Ikhtiarudin Ikhtiaruddin, Ihsan Irfan Maulana Iriani, Revy Jasril Jasril Kiranti Azlin Kolista Sisilawati Kurniawan Putri, Nurafika Lala Azela Larasati Arsad Livia Nathania Mazaya Putri Anabesi Meiriza Djohari, Meiriza Melzi Octaviani Meri Ernilawati Meridona Mira Febrina Monica Rifa Putri Muharani, Siska Muhtadi, Wildan Khairi Mulia Rizki Musyirna Rahmah Nasution Mutiara Salsabillah Muttaqin, Fauzan Zein Nadea Zahra Ramadhani Nadila Putri Nahdiah Nahdiah Nahdiah Nahdiah, Nahdiah Nasution, Musyirna Rahmah Nelly Oscifiani Nelly Oscifiani Ningsih, Yozi Fiedya Nisa Novrianti Nofriyanti Nova Tantri Silalahi Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Nurul fadillah, Nurul Nurul Susianti Oscifiani, Nelly Panjaitan, Pretty Farida Putri Rizki Rahmadani Qurnia Pratiwi, Putri R. Rizatita Fitriani Rabiatul Adawiyah Rahayu Rahayu Rahayu Rahayu Rahayu Rahayu Rahayu Utami Rahma Dona Raja adli husin Ramanda safitri Ricardo, Nadira Atiqah Rickha Octavia Rindiyani Rindiyani Riska Prasetiawati Rizda Fitriani Rizki Anugrah Rodhia Ulfa Rohim, Muhammad Rosnita Dewi Rahmawati Rossi Passarella Ruska, Shinta Liana Rusnedy, Rahmayati Salsabila alhamdania Balqis Salsabila Zahirah Ananda Salsabila, Aulia Sari, Rinita Sari, Seftika Selvi Aulia Wibowo Shafira Melsonia Silalahi, Nova Tantri Siregar, Lisa Andriyani Sitanggang, Sarah Dianora Tabah Solihin Teguh Utama Tria Harlianti Vella kurnia Wahyuni Veza Azteria viola Afrilizetira, Garnis Wahyuni, Dilla Widya Ari Sandi Winda Yusma Ameliah Wulandari, Zertiks Yasthophi, Arif Yuli Haryani Yum Eryanti Yum Eryanti Yum Eryanti Yuni Fatisa Zafarani, Welly