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All Journal The Journal of Pure and Applied Chemistry Research Hydrogen: Jurnal Kependidikan Kimia PROFICIO: Jurnal Pengabdian Masyarakat Unesa Journal of Chemistry
Wati, First Ambar
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Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Education Energy Materials Science & Nanotechnology Medicine & Pharmacology Social Sciences Other

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A STUDI IN SILICO: POTENSI SENYAWA KATEKIN DAN TURUNANNYA DARI TEH HIJAU SEBAGAI INHIBITOR HGF SERTA PROFIL TOKSISITASNYA Sururi, Ahmad Misbakhus; Wati, First Ambar; Maharani, Dina Kartika
Unesa Journal of Chemistry Vol. 12 No. 2 (2023): Vol 12 No 2 (2023)
Publisher : Department of Chemistry, Faculty of Mathematics and Natural Sciences, Surabaya State University, located at Jl Ketintang, Surabaya, East Java, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26740/ujc.v12n2.p57-63

Abstract

Green tea is a plant with a high content of catechins. Catechins are a secondary metabolites that possess many benefits and potencies, one of which is as an antitumor. This study aims to describe the potential of catechin and its derivatives as antitumor inhibitor of HGF and their toxicity profiles through in silico analysis. The ligands used in this study were catechin, gallocatechin, epicatechin, and epigallocatechin. The results showed that epicatechin has better potency (-6.6 kcal/mol) than other catechin derivatives. The toxicity characteristics of the four catechins indicate that they do not exhibit hepatotoxicity, mutagenicity, or carcinogenicity, and possess a safe LD50 value. Further studies, such as in vitro and in vivo, must reveal its potential as an antitumor HGF inhibitor.
Design, Synthesis, and In Silico Study of Two N-Substituted Pyrazinamide Analogs as Potential Antituberculosis Agents Zulqurnain, Muhammad; Wati, First Ambar; Nurjanah, Ana; Kavin, Layli Adha Nadira; Afifah, Rizqi Nur; Suyatno; Santoso, Mardi
The Journal of Pure and Applied Chemistry Research Vol. 14 No. 1 (2025): Edition January-April 2025
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2025.014.01.7939

Abstract

Tuberculosis (TB) is an infectious yet often overlooked disease that remains a significant global challenge. Pyrazinamide (PZA), a key drug in the first-line TB treatment regimen, is used to reduce the duration of therapy, making it a compound of great interest for further exploration. Two pyrazine-2-carboxamide analogs have been successfully synthesized and reported, followed by an in-silico evaluation of their potency as antituberculosis agents. Yamaguchi reagent was employed as a coupling agent between pyrazine-2-carboxylic acid and corresponding amine, yielding N-(cyclohexylmethyl) pyrazine-2-carboxamide (D) and N-(4-cyclooctyl) pyrazine-2-carboxamide (E) in 60% and 55%, respectively. The molecular docking analysis of compounds (D) and (E) demonstrated lower binding energies (-7.65 and -7.37 kcal/mol, respectively), in comparison with the standard TB drugs, pyrazinamide and isoniazid. Additionally, ADME and pharmacokinetics evaluations revealed that compounds (D) and (E) meet the essential criteria for oral drug candidacy. These findings suggest that the pyrazinamide analogs (D) and (E) hold significant potential as promising antimycobacterial agents for tuberculosis therapy.
Design and In silico Study of Amides Containing Heterocyclic Nitrogen as Potent Antituberculosis Agent Wati, First Ambar; Afifah, Rizqi Nur; Wardana, Mohammad Wisnu
Hydrogen: Jurnal Kependidikan Kimia Vol. 13 No. 4 (2025): August 2025
Publisher : Universitas Pendidikan Mandalika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33394/hjkk.v13i4.16895

Abstract

Tuberculosis (TB) remains a serious infectious disease caused by Mycobacterium tuberculosis, representing a global health concern, especially owing to the increasing incidence of resistancy, including multidrug-resistant tuberculosis (MDR-TB). Among the potential therapeutic targets for new antituberculosis agents is enoyl-acyl carrier protein (ACP) reductase (InhA), an essential enzyme in the biosynthetic pathway responsible for the formation of vital components of the M. tuberculosis cell wall. This study aims to modify the compound N-(4-fluorobenzyl)pyrazine-2-carboxamide (1) by replacing the pyrazine group with N-(4-fluorobenzyl)-1H-pyrrole-2-carboxamide (4) and N-(4-fluorobenzyl)-1H-indole-2-carboxamide (5), and to evaluate their antituberculosis activity in silico, which has not been reported previously. Molecular docking was performed against the InhA receptor (PDB ID: 4TZK) using AutoDock 4.2.6 software. Method validation was performed using a gridbox with dimensions 30 × 24 × 16 and a grid center at coordinates 10,119; 32,370; 60,728; yielding an RMSD value of 1,16 Å. The docking results indicated that the three modified compounds provided lower binding energies than the control drugs, with compound 5 showing the lowest energy (-8.48 Kcal/mol), followed by compound 4 (-7.44 Kcal/mol) and compound 1 (-7.09 Kcal/mol). Pharmacokinetic predictions indicate that all three compounds comply with Lipinski’s Rule of Five and Veber’s filter, with high gastrointestinal absorption. The study results suggest that modified compound 5 has the strongest potential as an antituberculosis drug candidate and warrants further evaluation in vitro and in vivo.
PELATIHAN PENGEMASAN, PELABELAN, DAN PERENCANAAN BISNIS PRODUK OLAHAN SUSU SAPI BAGI MASYARAKAT DUSUN BRAU Wati, First Ambar; Prima Retno Wikandari; Nurina Rizka Ramadhania; Ratih Dewi Saputri; Suyatno; Titik Taufikurohmah
Jurnal Pengabdian Masyarakat FKIP UTP Vol 7 No 1 (2026): PROFICIO : Jurnal Abdimas FKIP UTP
Publisher : FKIP UNIVERSITAS TUNAS PEMBANGUNAN SURAKARTA

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36728/jpf.v7i1.6005

Abstract

Sektor peternakan sapi perah memiliki peran strategis dalam penyediaan pangan bergizi, namun pemanfaatan susu segar masih menghadapi keterbatasan nilai tambah dan fluktuasi permintaan. Pengolahan susu menjadi keju merupakan salah satu alternatif diversifikasi yang memiliki nilai ekonomi lebih tinggi dan daya simpan lebih panjang. Kegiatan Pengabdian kepada Masyarakat (PkM) ini bertujuan meningkatkan keterampilan dan kemandirian masyarakat Dusun Brau, Kota Batu, khususnya kelompok yang tergabung dalam Koperasi Margo Makmur Mandiri, melalui pelatihan pengemasan, pelabelan, dan penyusunan rencana bisnis produk olahan susu sapi. Metode yang digunakan adalah pendekatan partisipatif berbasis pembelajaran orang dewasa, yang dilaksanakan melalui diskusi, penyampaian materi, demonstrasi, dan praktik mandiri. Hasil kegiatan menunjukkan peningkatan pengetahuan dan keterampilan peserta dalam aspek pengemasan higienis, pelabelan informatif, serta pemahaman dasar perencanaan bisnis. Evaluasi respon peserta menunjukkan tingkat penerimaan dan manfaat kegiatan yang tinggi. Kegiatan ini memiliki kebaruan pada integrasi penguatan keterampilan teknis dan kewirausahaan yang aplikatif bagi masyarakat desa, serta mendukung pencapaian SDG 2 (Zero Hunger), SDG 8 (Decent Work and Economic Growth), dan SDG 12 (Responsible Consumption and Production).
Co-Authors Afifah, Rizqi Nur Dina Kartika Maharani Kavin, Layli Adha Nadira Mardi Santoso Nurina Rizka Ramadhania Nurjanah, Ana Prima Retno Wikandari Ratih Dewi Saputri Sururi, Ahmad Misbakhus SUYATNO Titik Taufikurohmah Wardana, Mohammad Wisnu Zulqurnain, Muhammad