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Dergiler / Cumhuriyet Science Journal / 2023 / Cilt: 44 - Sayı: 1

Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2

Koray SAYIN
Hilmi ATASEVEN
Sayfa
72–80
Yayın Tarihi
2023-03-26
DOI
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Yapay Zeka Hızlı Bakış & Çıkarımlar

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⚡ TL;DR(1 Cümlede Hızlı Çıkarım)

It was found that compound B7 can be good drug candidate against omicron variant of SARS-CoV-2.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:Eight boron compounds are investigated in this study.
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Temel Bulgular & Veri:Structural and spectral characterization is done at M062X/6-311G(d) level in the water.
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Sonuç & Katkı:It was found that compound B7 can be good drug candidate against omicron variant of SARS-CoV-2.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Boron-Imine compounds · SARS-CoV-2_Omicron · p450

Abstract

Eight boron compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-311G(d) level in the water. Active sites of these compounds are determined using contour plots of frontier molecular orbital, molecular electrostatic potential (MEP) maps and MEP contour.. Electrophilic and nucleophilic attack regions are determined. We aimed to determine whether boron compounds inhibitor used in the treatment of omicron variant of SARS-CoV-2. Since SARS-CoV-2 is a worldwide health problem, anti-viral properties of studied boron compounds were investigated using in silico techniques. Bioavaliability analyses were performed using ADME and p450. It was found that compound B7 can be good drug candidate against omicron variant of SARS-CoV-2.

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Bu Makaleye Atıf Yap

SAYIN, K., ATASEVEN, H. (2023). Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. Cumhuriyet Science Journal, Cilt: 44 - Sayı: 1, 72–80. https://ajindex.com/articles/885421

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Kaynakça (12)

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