In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease

mustafa emirik (Recep Tayyip Erdoğan Üniversitesi, Kimya Bölümü, Rize, Türkiye)
El-Cezerî Journal of Science and Engineering
1 0
Yıl: 2021 Cilt: 8 Sayı: 2 Sayfa Aralığı: 809 - 816 Metin Dili: İngilizce DOI: 10.31202/ecjse.894617 İndeks Tarihi: 06-10-2022

In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease

Öz:
The outbreak of COVID-19 caused by the SARS-CoV-2 virus has recently affected millions worldwide. The natural compounds obtained from medicinal plants have been proven to be the source of many treatments throughout history. Efforts to combat Sars-CoV-2 generally focused on repositioning drugs or finding treatments with natural compounds and have been rapidly ongoing. Main protease (Mpro) is a vital protein of SARS-CoV-2 and an important target of drug research. The present study evaluated seven artemisinin derivatives: artemisinin, artemether, arteether, artesunate, dihydroartemisinic acid, dihydroartemisinin and artemisinic acid. For this purpose, the molecular docking study was carried out to investigate the potency of artemisinin derivatives against the SARS-CoV-2 Mpro. As a result, artesunate, dihydroartemisinic acid and dihydroartemisinin had promising results in Mpro inhibition with the binding energies between -8.42 and -9.35 kcal/mol.
Anahtar Kelime: Artemisinin Artesunate COVID-19 Main protease

Artemisinin Türevi Bileşiklerin Sars-CoV-2 Ana Proteaz Proteinine Karşı In Silico İnhibisyon Potansiyeli

Öz:
SARS-CoV-2 virüsünün neden olduğu COVID-19 salgını son zamanlarda dünya çapında milyonlarca insanı etkiledi. Şifalı bitkilerden elde edilen doğal bileşiklerin, tarih boyunca birçok tedavinin kaynağı olduğu kanıtlanmıştır. Sars-CoV-2 ile mücadele çabaları genellikle ilaçları yeniden konumlandırmaya veya doğal bileşiklerle tedaviler bulmaya odaklandı ve hızla devam ediyor. Ana proteaz (Mpro), SARS-CoV-2'nin hayati bir proteinidir ve ilaç araştırmalarının önemli bir hedefidir. Bu çalışmada, artemisinin, artemether, arteether, artesunate, dihydroartemisinic acid, dihydroartemisinin ve artemisinic Acid olmak üzere 7 artemisinin türevinin değerlendirilmesi amaçlanmıştır. Bu amaçla, artemisinin türevlerinin SARS-CoV-2 Mpro'ya karşı potansiyelini araştırmak için moleküler modelleme çalışması yapılmıştır. Sonuç olarak, artesunate, dihydroartemisinic acid ve dihydroartemisinin, -8.42 ile -9.35 kcal/mol arasında bağlanma enerjisi ile Mpro inhibisyonu açısından umut verici sonuçlar ortaya çıkarmıştır.
Anahtar Kelime: Artemisinin Artesunate COVID-19 Ana proteaz

Belge Türü: Makale Makale Türü: Araştırma Makalesi Erişim Türü: Erişime Açık
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APA emirik m (2021). In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. , 809 - 816. 10.31202/ecjse.894617
Chicago emirik mustafa In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. (2021): 809 - 816. 10.31202/ecjse.894617
MLA emirik mustafa In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. , 2021, ss.809 - 816. 10.31202/ecjse.894617
AMA emirik m In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. . 2021; 809 - 816. 10.31202/ecjse.894617
Vancouver emirik m In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. . 2021; 809 - 816. 10.31202/ecjse.894617
IEEE emirik m "In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease." , ss.809 - 816, 2021. 10.31202/ecjse.894617
ISNAD emirik, mustafa. "In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease". (2021), 809-816. https://doi.org/10.31202/ecjse.894617
APA emirik m (2021). In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. El-Cezerî Journal of Science and Engineering, 8(2), 809 - 816. 10.31202/ecjse.894617
Chicago emirik mustafa In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. El-Cezerî Journal of Science and Engineering 8, no.2 (2021): 809 - 816. 10.31202/ecjse.894617
MLA emirik mustafa In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. El-Cezerî Journal of Science and Engineering, vol.8, no.2, 2021, ss.809 - 816. 10.31202/ecjse.894617
AMA emirik m In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. El-Cezerî Journal of Science and Engineering. 2021; 8(2): 809 - 816. 10.31202/ecjse.894617
Vancouver emirik m In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease. El-Cezerî Journal of Science and Engineering. 2021; 8(2): 809 - 816. 10.31202/ecjse.894617
IEEE emirik m "In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease." El-Cezerî Journal of Science and Engineering, 8, ss.809 - 816, 2021. 10.31202/ecjse.894617
ISNAD emirik, mustafa. "In Silico Inhibition Potential of Artemisinin Derivatives Against SARS-CoV-2 Main Protease". El-Cezerî Journal of Science and Engineering 8/2 (2021), 809-816. https://doi.org/10.31202/ecjse.894617
Sayfa Oluşturulma Tarihi
24-04-2024 3:49

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