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Journal : Biomedika

Affinity of Chlorogenic Acid as COVID-19 Antiviral with Molecular Docking Method Bagaskara, Surya; Parisa, Nita; Pasaribu, Rouly Pola; Tamzil, Nia Savitri; Kamaluddin, Muhammad Totong
Biomedika Vol 16, No 1 (2024): Biomedika Februari 2024
Publisher : Universitas Muhammadiyah Surakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.23917/biomedika.v16i1.4622

Abstract

Due to the continued presence of and impact of COVID-19 on our modern world, the benefit and necessity of alternative treatment options and effective antiviral compounds is readily apparent. This study seeks to explore the utility of chlorogenic acid as a COVID-19 antiviral. The in-silico experimental study was conducted using a laptop and publicly-available freeware. Key compounds used in this study are the comparative drugs favipiravir (CID 492405), oseltamivir (CID 65028), nafamostat (CID 4413), and spironolactone (CID 5833), to be tested against our subject, chlorogenic acid (CID 1794427). Compunds used in this study were docked with specific target proteins, such as ACE2, TMPRSS2, RdRp, dan 3Clpro, using AutoDock Vina. The visualization of molecular interactions was performed with Discovery Studio v21. Our results showed that chlorogenic acid has one Lipinski’s Rule of Five violation in H-bond Donor parameter. Chlorogenic acid had a higher affinity towards ACE2 and 3CLpro and lower affinity towards TMPRSS2 and RdRp, if compared to competing drugs, with a binding energy of -7.8, -6.9, -7.0, and -7.4 kcal/mol respectively, for ACE2, TMPRSS2, RdRp, and 3CLpro. We conclude that chlorogenic acid shows promise as oral drug candidate based on these results, and that further studies into the realm of molecular dynamics, in-vitro, or in-vivo studies are warranted in order to explore this underutalized compound and possibly bring it to human trials.
Co-Authors ., Mariana Abdulwahab Hakimi Adenina, Masayu S Adnindya, Msy. Agustina Septi Hijir Aini, Nurlutfiyyah Aisyah Fristania Ditamor Alfiyah Munawwaroh Abdullah Alwi Shahab Amira Azra Arisa Putri Amirah Dhia Nabila Sinum Anisah Nida'ul Haq Aprilia Paskah Samosir Ardesy Melizah Kurniati Ardesy Melizah Kurniati Ardy Oktaviandi Arroyantri Prananjaya, Bintang Athiah, Medina Atikah M. Ihsan Ayeshah A Rosdah Az Zahra, Zaviera Azizah, Aida Nur Bagaskara, Surya Bintang Arroyantri Bintang Arroyantri P Bintang Arroyantri Prananjaya Bintang Arroyantri Prananjaya Bintang Arroyantri Prananjaya Bintang Arroyantri Prananjaya Carissa Delania Chris Alberto Amin Citra Yuliana Clara Alverina Dara Prameswari Debby Handayati Harahap Desi Oktariana Diah Andini Diba, Msy. Farah Diyaz Syauki Ikhsan Dwi Tantri Marylin Eka Febri Zulissetiana Ella Amalia, Ella Emelda Emelda Eskalatin, Khaira Evi Lusiana Fakhri Abdurrahman Fakhri Abdurrahman Fatmawati Fatmawati Fatmawati Fatmawati Fatmawati Fatmawati Fatmawati Fatmawati, Fatmawati Febryana Ramadhani Machyar Gita Dwi Prasasty Gita Dwi Prasasty Hanifah, Masayu Haq, Anisah Nida'ul Harahap, Debby Hasbi, Alfian Hawari Martanusa Ina Rahmawati Indri Seta Septadina Inggarsih, Rara Irga, Muhammad Islami, Arya Putera Izzah, Puspita Nurul Jayawarsa, A.A. Ketut Joko Marwoto Kamaluddin, Muhammad Totong Karina Nurul Fahira Karina, Mathius Kemas Muhammad Deky Berryl Ananta Putra Larasati, Veny Leonardo Satria Lusia Hayati Lusia Hayati, Lusia M. Ivan Pratama M. Khairul Kahfi Pasaribu M. T. Kamaluddin M. T. Kamaluddin M. Totong Kamaluddin Manurung, Maya Rina Santara Maria Sidabutar, Carolina Marlyani Tamara Mayasari Mayasari Mgs Irsan Saleh Mgs Irsan Saleh Mgs. Irsan Saleh Mgs. Irsan Saleh, Mgs. Irsan Mohammad Hilal Atthariq Ramadhan MT Kamaluddin Muhammad Barkah Muhammad Fakhri Altyan Muhammad Irsan Saleh Muhammad Reagen Muhammad Totong Kamaluddin Muhammad Totong Kamaluddin Muhammad Yusuf Wijahaska Nabila, Safa Putri Nadhila Apriadhanti Nafrah Ardita Nashif, Arkan Abdullah Nia Savitri Tamzil Noviyanti Eliska, Noviyanti Nugraha, M Daffa Nurhaura, Nailah Oktariana, Desi pariyana, Pariyana Pasaribu, Rouly Pola Perawati Perawati Perryanis Perryanis Perryanis, Perryanis Prananjaya, Bintang A Prananjaya, Bintang Arroyantri Puji Rizki Suryani Purnamasari, Septi Putra, Marco Manza Putri , Marsyadilla R.A. Alda Adelia Rachmat Hidayat RACHMAT HIDAYAT Rachmat Taufan Radiyati Umi Partan Rahma Nur Islami Rahmat Hidayat Rahmat Hidayat Rahmi Isman Rasyid, Riana Sari Puspita Rini Nindela Rini Nindela Rio Dwi Arliansyah Rischka Salsabila Maulini Rohaya Rohaya Rosdah, Ayesha Augusta Rosdah, Ayeshah Rovania Yantinez Quardetta Rovania Yantinez Quardetta Rulan Adnindya Safira Azahra Saleh, M. Irsan Saleh, Masagus I Salni Salni Salni Salni Salni Samantha Ferlin Boentara Samantha Ferlin Boentara Saputra, Andre Sativandi Riza Sindy Bintang Permata Siti Rusdiana Puspa Siti Rusdiana Puspa Dewi Smaradhna, Safira Sri Nita Sri Nita Subandrate Sutandar, Vivi Sutandar, Vivi Hendra Syarinta Adenina Syifa Syifa Syifa Tahany, Hanifah Tantoro, Valyn T Theodorus Theodorus Theodorus Parulian Theodorus Parulian Theodorus Theodorus Theodorus Theodorus Theodorus Theodorus Tiara Fatrin Tri Wahyuni tri wahyuni Triwani Triwani Triwani Triwani Triwani Triwani Triwani Triwani Try Merdeka Puri Tryvanie R Putra Uswati Uswati Valentino, Albert Amadeus Venny Larasati Vincensius Hans Kristian Pratama Wicaksono, Bonanza Abi Wildan Dwi Putra Widodo Yeni Agustin Yeni Agustin Yeni Agustin Yuliana, Citra Yuliarni Yuliarni Yuliarni Yuliarni Zabila Adwie Prilishia Ziske Maritska