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Determination of Potential Drug Candidate Molecules of the Hypericum perforatum for COVID-19 Treatment   
Yazarlar (3)
Prof. Dr. Serap YALÇIN AZARKAN Prof. Dr. Serap YALÇIN AZARKAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
Seda Yalçınkaya
Prof. Dr. Fahriye ERCAN Prof. Dr. Fahriye ERCAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
Devamını Göster
Özet
The novel human coronavirus was firstly emerged in December 2019 in Wuhan, China, and has spread rapidly around the world. There is no known specific effective treatment of COVID-19. The most commonly used agents against this disease both in Turkey and around the world include chloroquine, hydroxychloroquine, lopinavir/ritonavir, favipiravir, and remdesivir. In the study, we investigated the drug potential of molecules that the components of an important medicinal plant Hypericum perforatum by using molecular docking and drug possibility properties of these molecules. The molecular docking results showed that the most stable complex was obtained with COVID-19 main protease and hypericin/isohypericin ligands with − 11 kcal/mol binding energy. Furthermore, ADMET, drug-likeness features of compounds of H. perforatum were investigated using the rules of Lipinski, Veber, and Ghose …
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale
Dergi Adı Current Pharmacology Reports
Dergi ISSN 2198-641X Scopus Dergi
Dergi Tarandığı Indeksler CNKI Chemical Abstracts Service (CAS) Dimensions EBSCO Discovery Service EMBASE Google Scholar
Makale Dili Türkçe
Basım Tarihi 01-2021
Cilt No 7
Doi Numarası 10.1007/s40495-021-00254-9
Makale Linki http://dx.doi.org/10.1007/s40495-021-00254-9