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Synthesis and In Vitro Antimalarial Activity of Amino Chalcone Derivatives Compounds Through Inhibition of Heme Polymerization Rahma Dona; Jasril; Rudi Hendra; Neni Frimayanti
JSFK (Jurnal Sains Farmasi & Klinis) Vol 11 No 2 (2024): J Sains Farm Klin 11(2), August 2024
Publisher : Fakultas Farmasi Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jsfk.11.2.127-135.2024

Abstract

This study aims to investigate the potential of chalcone derivatives as antimalarial agents. The structure of the  chalcone derivatives was designed by inserting amino substituents on acetophenone and methoxy variants on benzaldehyde to  produce three amino chalcone derivatives (C1, C2, and C3). The synthesis was carried out by carrying out the Claisen-Schmidt  condensation reaction with NaOH 40% as catalyst, resulting in compound yields ranging from 66% - 83%. The structure of the  three compounds was determined by FTIR, MS, and 1H-NMR spectroscopy techniques, which confirmed that the compounds  had structures that were in line with the desired molecular structure. The antimalarial activity test was carried out by inhibiting  the heme polymerization process into hemozoin (β-hematin) using hydroxychloroquine sulfate as a positive control. Absorption  measurements were carried out at two different wavelengths, namely 415 nm and 630 nm. The results of the IC50 antimalarial  activity of the three compounds (C1, C2, C3) were obtained respectively at 227.61; 115.18; 260.01 µg/mL and positive control of  184.98 µg/mL. From these results, it was found that compound C2 showed better antimalarial activity compared to the other two  compounds and positive control.
Identifikasi Inhibitor Protease NS2B/NS3 Virus Dengue Berbasis Flavonol melalui Farmakologi Jaringan dan Penambatan Molekuler Neni Frimayanti; Haiyul Fadhli; Mazani Febrina
JFIOnline | Print ISSN 1412-1107 | e-ISSN 2355-696X Vol 18 No 2 (2026): Jurnal Farmasi Indonesia
Publisher : Pengurus Pusat Ikatan Apoteker Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35617/jfionline.v18i2.970

Abstract

The dengue virus still poses a serious threat to world health, and there are still few effective inhibitors that target the NS2B/NS3 protease. This study used an integrated in silico methodology to find possible anti-dengue candidates from Artocarpus heterophyllus flavonol molecules. After investigating compound–target relationships using network pharmacology, structure-based molecular docking was used to evaluate binding affinities toward the NS2B/NS3 protease (PDB ID: 2FOM), and ADME profiling was included. Compounds 6 and 9 outperformed the other ligands in the evaluation in terms of expected binding energies and stable accommodation in the active site, which included close spatial interaction with the residues of the catalytic triad (His51, Asp75, and Ser135). For the most part, their anticipated pharmacokinetic characteristics were within reasonable bounds for early-stage medication candidates. All things considered, our findings suggest that the chosen flavonols would be good places to start when developing dengue antivirals; still, further experimental testing is necessary to confirm their biological activity.
LITERATUR REVIEW: IMPLEMENTASI GOOD PHARMACY PRACTICE DI APOTEK KOMUNITAS ⁠ Chindy Retika; Seftika Sari; Neni Frimayanti; Benni Iskandar
Jurnal Kesehatan Farmasi Vol 8 No 1 (2026): Jurnal Kesehatan Farmasi
Publisher : Jurusan Farmasi, Poltekkes Kemenkes Palembang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36086/jkpharm.v8i1.3786

Abstract

Good Pharmacy Practice (GPP) merupakan standar praktik farmasi yang ditetapkan oleh International Pharmaceutical Federation (IPF) dan World Health Organization (WHO) untuk menjamin kualitas pelayanan kefarmasian. Implementasi GPP di berbagai negara menunjukkan tingkat kepatuhan yang bervariasi. Melakukan tinjauan sistematis terhadap implementasi GPP di apotek komunitas di berbagai negara, mengidentifikasi faktor-faktor yang mempengaruhi kepatuhan, serta peluang peningkatan kualitas pelayanan. Pencarian literatur dilakukan terhadap artikel yang dipublikasikan tahun 2015-2025. Sepuluh artikel yang memenuhi kriteria inklusi dianalisis menggunakan metode literature review. Tingkat kepatuhan terhadap standar GPP bervariasi dari 11,7% hingga 65,09%. Faktor-faktor yang mempengaruhi kepatuhan meliputi kualifikasi tenaga farmasi, lokasi geografis apotek, dukungan regulasi, infrastruktur, dan sumber daya. Kategori dengan kepatuhan tertinggi adalah pengelolaan sediaan farmasi (66,1%-86,6%), sedangkan terendah adalah pelayanan farmasi klinik (11,02%-41,4%). Implementasi GPP di apotek komunitas masih suboptimal, terutama di negara berkembang. Diperlukan penguatan regulasi, peningkatan kompetensi tenaga farmasi, dan dukungan infrastruktur untuk meningkatkan kepatuhan terhadap standar GPP.
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.
Sintesis, Karakterisasi Struktur, dan Kajian In Silico Potensi 2'-Hidroksicalkon dan Flavonol Tersubstitusi Trimetoksi sebagai Inhibitor Main Protease (MPro) SARS-CoV-2 Ihsan Ikhtiarudin; Neni Frimayanti; Musyirna Rahmah Nasution; Rabiatul Adawiyah; Enda Mora; Abdi Wira Septama
ALCHEMY Jurnal Penelitian Kimia Vol 20, No 1 (2024): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.20.1.78445.98-119

Abstract

Pada penelitian ini, 2'-hidroksicalkon (C345) dan flavonol (F345) tersubstitusi trimetoksi telah disintesis menggunakan metode iradiasi microwave dan metode pengadukan. Struktur kedua produk telah dikarakterisasi melalui analisis spektroskopi UV-Vis, FT-IR, 1H NMR, 13C NMR, dan HRMS. Hasil analisis spektroskopi menunjukkan bahwa kedua produk memiliki struktur yang sesuai dengan struktur molekul target yang diharapkan. Selain itu, hasil sintesis juga menunjukkan bahwa metode iradiasi microwave terbukti dapat mempercepat waktu reaksi (dari 1,5-3,0 jam menjadi 3-6 menit) dan meningkatkan rendemen produk murni pada sintesis senyawa C345 (55,31 %) dan F345 (83,65 %). Selanjutnya, hasil docking menunjukkan bahwa kedua senyawa dapat membentuk ikatan hidrogen dengan beberapa residu penting pada sisi aktif dan dapat terikat pada kedua situs katalik MPro SARS-CoV-2 (PDB ID:6M2N), yaitu His41 dan Cys145 melalui interaksi hidrofobik dengan nilai energi bebas pengikatan yang lebih negatif (-8,95 dan -9,02 kcal/mol) dibandingkan dengan baicalein sebagai inhibitor pembanding. Hasil kajian in silico lainnya juga menunjukkan bahwa kedua senyawa memiliki profil farmakokinetik yang baik dan memiliki sifat kemiripan dengan obat berdasarkan aturan Lipinski, Ghose, Veber, Egan, dan Muegge. Selain itu, senyawa F345 juga diprediksi memiliki risiko toksisitas yang lebih kecil dibandingkan dengan baicalein. Synthesis, Structural Characterization, and In Silico Study of the Potential of 2'-Hydroxychalcone and Trimethoxy-Substituted Flavonols as Inhibitors of the Main Protease (MPro) of SARS-CoV-2. In this study, trimethoxy-substituted 2'-hydroxychalcone (C345) and flavonol (F345) were synthesized using microwave irradiation and stirring methods. The structure of the two products were characterized by spectroscopic analyses including UV-Vis, FT-IR, 1H NMR, 13C NMR, and HRMS. The result of spectroscopic analyses showed that the products had structures consistent with the expected target molecules. In addition, the synthesis results showed that the microwave irradiation method was proven to speed up the reaction time (from 1.5-3.0 hours to 3-6 minutes) and increased the yield of pure product in the synthesis of compounds C345 (55.31 %) and F345 (83.65 %). Furthermore, the docking result showed that the two compounds can form hydrogen bonds with several important residues on the active site and also can bind to catalytic dyad of the SARS-CoV-2 MPro (PDB ID:6M2N), namely His41 and Cys145 through hydrophobic interactions with a more negative binding free energy (-8.95 and -9.02 kcal/mol) than baicalein as a reference inhibitor. The result of silico studies also showed that the two compounds exhibited good pharmacokinetic profiles and drug-likeness properties based on Lipinski, Ghose, Veber, Egan, and Muegge rules. In addition, compound F345 was also predicted to has a smaller toxicity risk compared to baicalein.
Molecular Docking and Pharmacophore Analysis of Compounds from Ginger (Zingiber officinale) as Inhibitor for Dengue DEN2 NS2B/NS3 Serine Protease Neni Frimayanti; Enda Mora; Rindiyani Rindiyani
ALCHEMY Jurnal Penelitian Kimia Vol 19, No 2 (2023): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.19.2.75234.190-196

Abstract

Dengue hemorrhagic fever (DHF) is a disease caused by the dengue virus (DENV). Dengue virus can enter the human body through the Aedes aegypti and Aedes albopictus mosquitoes. According to the Indonesian Ministry of Health, dengue hemorrhagic fever (DHF) is still a serious health problem in Indonesia. The type of dengue virus serotype most commonly found to cause infection in the human body is the DENV-2 serotype. This study aims to determine whether Ginger (Zingiber officinale) isolate compounds have potential as dengue DEN-2 NS2B/NS3 inhibitors. Samples used are compounds with IUPAC names (S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl) octan-3-one (4-gingerol) and (S)-5-hydroxy-1-(3-methoxy-4-methylphenyl) decan-3-one. The method used is molecular docking and Pharmacophore using the MOE (Molecular Operating Environment) 2022.0901 software package. The results obtained based on the observed parameters of the two compounds isolated from ginger (Zingiber officinale) could be estimated as potential dengue DEN2 NS2B/NS3 inhibitors.
Studi molecular docking senyawa 1,5-benzothiazepine sebagai inhibitor dengue DEN-2 NS2B/NS3 serine protease Frimayanti, Neni; Lukman, Anita; Nathania , Livia
Chempublish Journal Vol. 6 No. 1 (2021): Chempublish Journal
Publisher : Department of Chemistry, Faculty of Science and Technology Universitas Jambi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22437/chp.v6i1.12980

Abstract

Studi molecular docking senyawa 1,5-benzothiazepine turunan kalkon dengan protein target dari permodelan struktur kristalografi Protease dengan kode 2FOM dilakukan dengan komputer menggunakan program Molecular Operating Environment (MOE). Penelitian ini bertujuan untuk mengetahui potensi senyawa 1,5-benzothiazepine sebagai inhibitor virus dengue menggunakan studi molecular docking dengan mengamati interaksi antara senyawa 1,5-benzothiazepine dengan reseptor NS2B/ NS3 Protease menggunakan Panduratin A sebagai kontrol positif. Sehingga dapat dijadikan acuan dalam desain inhibitor NS2B/ NS3 Protease. Berdasarkan hasil docking yang telah dilakukan menunjukkan senyawa MA10, MA11 dan MA12 berpotensi aktif sebagai inhibitor NS2B/ NS3 Proteasedengan nilai energi bebas ikatan sebesar -5,0142 kcal/mol, -4,9782kcal/mol, dan -4,9778kcal/mol dan memiliki beberapa kesamaan residu asam amino yang sama dengan kontrol positif (Panduratin A).
Co-Authors Abdi Wira Septama 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 Antasya, Vaylia Ariyana Najwa Nabila Suzarman Armon Fernando Bella Parina, Ana Benni Iskandar Bulan Daniel Sialagan Dea Dwi Putri Della Vasmawati Denisya amanda Difa, Faradini Ramsanjami Dwi Endarti Efendi, Apriyani Eka Marisa Putri Elsa Etavianti Elsa Natia Elvi Khairani, Mai Elviyenti, Elviyenti Enda Mora Enda Mora 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 Hery Widijanto Hilwan Y. Teruna Hilwan Yuda Teruna Husnawati Husnawati Ihsan Ikhtiarudin Ikhtiaruddin, Ihsan Iktiarudin, Ihsan Irfan Maulana Iriani, Revy Jasril Jasril , Jasril Jasril Jasril Kiranti Azlin Kolista Sisilawati Kurniawan Putri, Nurafika Lala Azela Larasati Arsad Mazani Febrina Mazaya Putri Anabesi Meiriza Djohari, Meiriza Melzi Octaviani Meri Ernilawati Meridona Mira Febrina, Mira Muharani, Siska Muhtadi, Wildan Khairi Mulia Rizki Musyirna Rahmah Nst Mutiara Putri Amri Mutiara Salsabillah Muttaqin, Fauzan Zein Nadea Zahra Ramadhani Nadila Putri Nahdiah Nahdiah Nahdiah Nahdiah, Nahdiah Nathania , Livia Nelly Oscifiani Nelly Oscifiani Ningsih, Yozi Fiedya Nisa Novrianti Nofriyanti Nova Tantri Silalahi Noval Herfindo Novianty, Riryn Nurul fadillah, Nurul Nurul Susianti Oscifiani, Nelly Panjaitan, Pretty Farida Peng-Wei, Ching Putri Rizki Rahmadani Putri, Monica Rifa Qurnia Pratiwi, Putri R. Rizatita Fitriani Rabiatul Adawiyah Rahayu Rahayu Rahayu Rahayu Rahayu Rahayu Rahayu Utami Rahim, Fatma Rahma Dona Rahmah, Rizka I’zaa Raja adli husin Ramanda safitri Ricardo, Nadira Atiqah Rickha Octavia Rinda Aryudhini Rindiyani Rindiyani Riska Prasetiawati Rivaldo Andy Tanzil Rizda Fitriani Rizki Anugrah Rizky Fadli Putra Rodhia Ulfa Rohim, Muhammad Rosi Ami Sari Rosnita Dewi Rahmawati Rossi Passarella Rudi Hendra Ruska, Shinta Liana Rusnedy, Rahmayati S.Farm., M.Farm., Apt, Sondang Khairani Salsabila alhamdania Balqis Salsabila Zahirah Ananda Salsabila, Aulia Sari, Rinita Seftika Sari Selvi Aulia Wibowo Shafira Melsonia Shelvy Nurhaliza Harianda Silalahi, Nova Tantri Siregar, Lisa Andriyani Sitanggang, Sarah Dianora Siti Nuraida Harahap Siti Rahmah Solihin, Tabah Syaifullah, Mhd Muslim Teguh Utama Thoriq El Haque Tria Harlianti Ulhukmi, Nisa 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 Yuri Amalia, Annisa Zafarani, Welly ⁠ Chindy Retika