Computational Studies of Drugs Used in Covid-19

Year 2021, Volume: 8 Issue: 1, 93 - 107, 30.06.2021

Fatma Aloğlu , Zeynep Şilan Turhan

https://doi.org/10.48138/cjo.944469

Abstract

In this article, the computational studies in the literature of the drugs used in the treatment of Covid-19 disease, which has affected the world, are brought together. Combination studies of Favipiravir (F), Hydroxychloroquine (H) and Oseltamivir (O) molecules for Covid-19 were examined. The combinations created are F + H, F + O, H + O and F + H + O. Between the combination of the two inhibitors, it was found that the F + H combination showed good binding affinity. Similarly, a further significant increase in F + H + O, binding affinity with the protein of interest was observed for the three combination drugs. As a result, studies have been obtained confirming the results of the molecular docking, the stronger binding affinity of the combination drug

Keywords

Covid-19, favipiravir, chloroquine, hydroxychloroquine, oseltamivir

Covid-19’da Kullanılan İlaçların Hesapsal Çalışmaları

Abstract

Bu yazıda dünyayı etkisi altına alan Covid-19 hastalığının tedavisinde kullanılan ilaçların literatürde olan hesapsal çalışmaları bir araya getirilmiştir. Covid-19 için Favipiravir (F), Hidroksiklorokin (H) ve Oseltamivir (O) moleküllerin kombinasyon çalışmaları incelenmiştir. Oluşturulan kombinasyonlar F + H, F + O, H + O ve F + H + O şeklindedir. İki inhibitörün kombinasyonu arasında, F + H kombinasyonun iyi bağlanma afinitesi gösterdiğine ulaşılmıştır. Benzer şekilde, üç kombinasyon ilaç için F+H+O, ilgili protein ile bağlanma afinitesinde daha fazla önemli artış gözlenmiştir. Sonuç olarak, moleküler yerleştirmenin sonuçları, kombinasyon ilacının daha güçlü bağlanma afinitesini doğrulayan çalışmalar elde edilmiştir.

Keywords

Covid-19, favipiravir, klorokin, hidroksiklorokin, osteltamivir

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