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Journal : The Journal of Pure and Applied Chemistry Research

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.
Co-Authors Aang Wahidin Adityo Pratomo Putro Afifah, Rizqi Nur Agustina Merdekawati Ahmad Rizqi Alima Fabri Alfanda, Benedcita Dian Aminatus Sa’diyah Ananda Krisna Aldianita Andifa, Vinda Aprilia Nurul Angelia Angelia Ani Iryani Anisa Rahma Maharani Ardi Lukman Hakim Arif Fadlan Ariwiyono, Nopem Ashari, Moch. Luqman Aunurohim Aunurohim Awik P.D. Nurhayati Azhaar, Nadia Bambang Antoko Benedicta Dian Alfanda Cahyaningati, Desi Cahyono, Luqman Cicilia Puspa Rini Dahlena Ariyani David StC Black Dewi Kurniasih Dheva Noveilya Didik Prasetyoko Didik Sukoco Djoko Hartanto Edi Haryono Eko Julianto Eky Novianarenti Eky Novianarenti Endro, R. Dimas Eva Melinda Evan Evan Fadlan, Arif Fahimah Martak Fatimatul Munawaroh Fatimatul Munawaroh Fendra Wician Fendra Wician Fiqey Indriati Eka Sari Ghaissani, Shabrina Syifa Gusma Hamdana Putra Hadi Nur Hadi Nur Haidhar Wahyu S Hakam, M Hanafi Hanafi Haniarta Gemilang Sari Hartati Hartati Hartono Gunarso Hasliza Bahruji Healthy Kainama Helena Fabiani Hendro Agus Widodo, Hendro Agus Henny Tanadi Tan Herdayanto Sulistyo Putro Heriyansyah, Rafi Akbar I Made Putra Ananta W Ikang Martin Trasnowo Imelda Imelda Imelda Priskila Simanjuntak Imroatul Qoniah Ingeswari, Aulya Vidiana Ivan DP Sunardi Jesika Setiawan Jovita Jovita KAMILIA MUSTIKASARI Kamilia Mustikasari Kavin, Layli Adha Nadira kholifatu rosyidah Kholifatu Rosyidah Khozin, Muhamad Nur Kristian Ariya Sedayu Kusdiantomo Kusdiantomo Kusminah, Imah Luluk Kusuma, George Endri Laila Khamsatul Muharrami, Laila Khamsatul Leaw Wai Loon Lingga Kamadatu Lukman Atmaja M Anis Mustaghfirin M Daffa Aditya M Hakam M. Rizal Fahmi Maharani, Aditya Maria Dewi Astuti Marshel Tendean Marshell Tendean Marshell Tendean Maya Damayanti Mochammad Choirul Rizal Mochammad Purwanto Mohammad Abu Jami'in Monica Puspa Sari muhammad fatoni, muhammad Muhammad Nur Kholis Muhammad Nur Kholis Mustaghfirin, M Anis Nabilah Dita Anaqah Nadia Sasanti Naufal Salehtra Ghalib Ni Kadek Githa Kartika Gunadyani Nindyapuspa, Ayu Ni’matut Tamimah Noer Komari Nor Farida Novpi Susanto Nugraeni, Christine Dyta Nugraheni, Zjahra Vianita Nur Hayati Nur Hayati Nurjanah, Ana Pieter Kakisina Ponti Almas Karamina Pramesti, Lely Purwanto, Mochammad Puspitasari Puspitasari Rafi Akbar Heriyansyah Rahma Rahayu Dinarlita Rahmat Rosid Ratna Ediati Regie Santoso Reynaldi Aurel Fadiilah RR. Ella Evrita Hestiandari Ruzain Rafie Sukma Putra Salsabila, Yofinta I Sarmoko Sarmoko Sa’diyah, Aminatus Sembiring, Rinawati Sri Fatmawati Sugeng Triwahyono Sumardiono . Susan Susan Susana Chandra Susanna Ndraha Susi Agustina Wilujeng Susy Budi Astuti SUYATNO Suzanna Ndraha Syafiuddin Syafiuddin Tamimah, Nimatut Taslim Ersam Taslim Ersam Umbara, Albert Wida Utomo, Agung Prasetyo Vanuella Tresnaning Budi Wati, First Ambar Wong Hendra Widjaja Yani Cahyo Susilo Yaqdhan Nufal Rafi Yatim Lailun Ni’mah Yuli Kusumawati Yuli Kusumawati Zainul Mujib Zulqurnain, Muhammad