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Journals / Ankara Üniversitesi Eczacılık Fakültesi Dergisi / 2022 / Cilt: 46 - Sayı: 2

VIRTUAL SCREENING AND MOLECULAR DOCKING ANALYSIS ON THREE SARS-COV-2 DRUG TARGETS BY MULTIPLE COMPUTATIONAL APPROACH

ÇOKLU HESAPLAMALI YAKLAŞIMLA ÜÇ SARS-COV-2 İLAÇ HEDEFLERİ ÜZERİNDE SANAL TARAMA VE MOLEKÜLER DOKİNG ANALİZİ

İsmail ÇELİK
Meryem EROL
Ebru UZUNHİSARCIKLI
Ufuk İNCE
Pages
376–392
Publication Date
2022-05-29
DOI
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

In this study, drug-target interactions on three nonstructural protein structures of SARS-CoV-2 of 8820 drug candidates or drug molecules obtained from the DrugBank database were analyzed.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:Objective: SARS-CoV-2 is a pandemic virus characterized by upper respiratory tract infection and can range from mild symptoms to severe complications.
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Key Findings & Data:In this case, drug repurposing and computer-aided studies have become very important to find emergency solutions.
💡
Conclusion & Impact:In this study, drug-target interactions on three nonstructural protein structures of SARS-CoV-2 of 8820 drug candidates or drug molecules obtained from the DrugBank database were analyzed.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:SARS-CoV-2 · moleküler doking · sanal tarama

Abstract

Objective: SARS-CoV-2 is a pandemic virus characterized by upper respiratory tract infection and can range from mild symptoms to severe complications. In this case, drug repurposing and computer-aided studies have become very important to find emergency solutions. In this study, drug-target interactions on three nonstructural protein structures of SARS-CoV-2 of 8820 drug candidates or drug molecules obtained from the DrugBank database were analyzed.

Özet

Amaç: SARS-CoV-2, üst solunum yolu enfeksiyonu ile karakterize pandemik bir virüstür ve hafif semptomlardan ciddi komplikasyonlara kadar gidebilmektedir. Bu durumda, ilaç yeniden kullanım ve bilgisayar destekli çalışmalar, acil çözümler bulmak için çok önemli hale geldi. Bu çalışmada, 8820 ilaç adayının SARS-CoV-2'nin yapısal olmayan üç protein yapısı DrugBank veri tabanından elde edilen ilaç adayları veya ilaç molekülleri ile olan ilaç-hedef etkileşimleri analiz edilmiştir.

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Cite This Article

ÇELİK, İ., EROL, M., UZUNHİSARCIKLI, E., İNCE, U. (2022). VIRTUAL SCREENING AND MOLECULAR DOCKING ANALYSIS ON THREE SARS-COV-2 DRUG TARGETS BY MULTIPLE COMPUTATIONAL APPROACH. Ankara Üniversitesi Eczacılık Fakültesi Dergisi, Cilt: 46 - Sayı: 2, 376–392. https://ajindex.com/articles/401142

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References (1)

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