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Journal : Makara Journal of Science

An in Silico Study of the Cathepsin L Inhibitory Activity of Bioactive Compounds in Stachytarpheta jamaicensis as a Covid-19 Drug Therapy Utami, Juliyatin Putri; Kurnianingsih, Nia; Faisal, Mohammad Reza
Makara Journal of Science Vol. 26, No. 1
Publisher : UI Scholars Hub

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Abstract

Inhibition of cathepsin L (Cat L) can be considered a target for COVID-19 treatment. Starchytapheta jamaicensis is a plant from the Verbenaceae family that is commonly used for medicinal purposes. This study aims to analyze the inhibitory activities of compounds of Stachytarpheta jamaicensis toward Cat L by computational docking analysis. Ten compounds contained in the extracts (i.e., α-spinasterol, apigenin, luteolol-7-glucuronide, friedelin, hispidulin, chlorogenic acid, ipolamiide, geraniol, hentriacontane, and γ-aminobutyric acid) were selected as ligands; decanoyl-arg-val-lys-arg-chloromethylketone and oxocarbazate were used as the reference. Computational docking analysis was performed using Autodock Vina integrated into PyRx 8.0 and visualized using the Discovery Studio Visualizer v19.1.0.18287 (2019 version) based on the scoring functions. Seven bioactive compounds were bound more strongly than decanoyl-arg-val-lys-arg-chloromethylketone: α-spinasterol, apigenin, luteolol-7-glucuronide, friedelin, hispidulin, chlorogenic acid, and ipolamiide. However, all bioactive compounds were bound with less strength than oxocarbazate. Apigenin showed the best affinity, with much hydrogen bonding, and had the same ASN18 residue as Cat L inhibitor 1. PreADMET showed that all compounds of S. jamaicensis did not have hepatotoxicity, mutagenic, and carcinogenic criteria. The current research indicates that S. jamaicensis compounds can be used as an inhibitor for Cat L and as a COVID-19 drug candidate.
Co-Authors Abdul Gafur Abdullayev, Vugar Achmad Zainudin Nur Adawiyah, Laila Adi, Puput Dani Prasetyo Adini, Muhammad Hifdzi Admi Syarif Aflaha, Rahmina Ulfah Ahmad Rusadi Ahmad Rusadi Arrahimi - Universitas Lambung Mangkurat) Ahmad Rusadi Arrahimi - Universitas Lambung Mangkurat) Amalia, Raisa Andi Farmadi Andi Farmadi Angga Maulana Akbar Anggi Mardiyono Annisa Rizqiana Arie Sapta Nugraha Arif, Nuuruddin Hamid Arifin Hidayat As’ary Ramadhan Azizah, Azkiya Nur Bachtiar, Adam Mukharil Bahriddin Abapihi Bayu Hadi Sudrajat Bedy Purnama budiman, irwan Dewi Sri Susanti Dike Bayu Magfira, Dike Bayu Djordi Hadibaya Dodon Turianto Nugrahadi Dwi Kartini Dwi Kartini Dwi Kartini Dwi Kartini, Dwi Emma Andini Erick Kurniawan Fadhillah, Muhammad Alif Fatma Indriani Fatma Indriani Fatma Indriani Fitra Ahya Mubarok Fitriani, Karlina Elreine Fitriyana, Silfia Friska Abadi Friska Abadi Friska Abadi Fuad Muhajirin Farid Ghinaya, Helma Halim, Kevin Yudhaprawira Hana, Elvina Nur Hanif Rahardian Herteno, Rudi Herteno, Rudy Hertono, Rudy Indriani, Fatma Irwan Budiman Irwan Budiman Irwan Budiman Irwan Budiman Irwan Budiman Ivan Sitohang Julius Tunggono Jumadi Mabe Parenreng Junaidi, Ridha Fahmi Kamil, Hawariul Kartika, Najla Putri Keswani, Ryan Rhiveldi Kevin Yudhaprawira Halim Kurnianingsih, Nia Lilies Handayani Liling Triyasmono Lisnawati Lumbanraja, Favorisen R Mafazy, Muhammad Meftah Mahmud Mahmud Maisarah Maisarah, Maisarah Mauldy Laya Mera Kartika Delimayanti Miftahul Muhaemen Muflih Ihza Rifatama Muhamad Ihsanul Qamil Muhammad Adika Riswanda Muhammad Al Ichsan Nur Rizqi Said Muhammad Alkaff Muhammad Angga Wiratama Muhammad Fauzan Nafiz Muhammad Haekal Muhammad Haekal Muhammad Iqbal Muhammad Irfan Saputra Muhammad Itqan Mazdadi Muhammad Janawi Muhammad Khairi Ihsan Muhammad Khalid Maulana Muhammad Mada Muhammad Mursyidan Amini Muhammad Rizky Adriansyah Muhammad Rusli Muhammad Sholih Afif Muhammad Zaien MUJIZAT KAWAROE Muliadi Muliadi Muliadi Muliadi Aziz Muliadi Muliadi Muliadi Muliadi Muliadi Muliadi Mustofa, Fahmi Charish Nafiz, Muhammad Fauzan Ngo, Luu Duc Noordyanti, Erna Nor Indrani Noryasminda Nugrahadi, Dodon Nurlatifah Amini Nursyifa Azizah Oni Soesanto Prastya, Septyan Eka Pratama, Muhammad Yoga Adha Priyatama, Muhammad Abdhi Purnajaya, Akhmad Rezki Putri Nabella Raditya, Virgi Atha Radityo Adi Nugroho Radityo Adi Nugroho Rahayu, Fenny Winda Rahmad Ubaidillah Rahmat Ramadhani Rahmat Ramadhani Ratna Septia Devi RAUDLATUL MUNAWARAH Reina Alya Rahma Reisa Siva Nandika Reza Rendian Septiawan Riadi, Agus Teguh Riadi, Putri Agustina Rinaldi Riza Susanto Banner Riza, Yusi Rizal, Muhammad Nur Rizian, Rizailo Akfa Rizki, M. Alfi Rizky Ananda, Muhammad Rizky, Muhammad Hevny Rizky, Muhammad Miftahur Rozaq, Hasri Akbar Awal Rudy Herteno Rudy Herteno Rudy Herteno Rudy Herteno Rudy Herteno Said, Muhammad Al Ichsan Nur Rizqi Said, Naufal SALLY LUTFIANI Salsabila Anjani Saputro, Setyo Wahyu Saragih, Triando Hamonangan Sarah Monika Nooralifa Sari, Risna Satou, Kenji Sa’diah, Halimatus Septyan Eka Prastya Setyo Wahyu Saputro Setyo Wahyu Saputro Siti Aisyah Solechah Solly Aryza Sri Redjeki Sri Redjeki Sugiarto, Iyon Titok Sulastri Norindah Sari Suryadi, Mulia Kevin Syamsiar, Syamsiar Tri Mulyani Triando Hamonangan Saragih Umar Ali Ahmad Umiatin, Umiatin Utami, Juliyatin Putri Uthami, Mariza Vina Maulida, Vina Wahyu Caesarendra Wahyu Dwi Styadi Wahyudi Wahyudi Warsuta, Bambang Wildan Panji Tresna Winda Agustina Yabani, Midfai Yeni Rahkmawati Yenni Rahman YILDIZ, Oktay Yudha Sulistiyo Wibowo Yunida, Rahmi