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

SAYIN, Koray; Ataseven, Hilmi

doi:10.17776/csj.1117056

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

Koray SAYIN, (Sivas Cumhuriyet Üniversitesi, Fen Fakültesi, Kimya Bölümü, Sivas, Türkiye)

Hilmi ATASEVEN (Sivas Cumhuriyet Üniversitesi, Tıp Fakültesi, Gastroenteroloji Anabilim Dalı, Sivas, Türkiye)

Cumhuriyet Science Journal

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Yıl: 2023 Cilt: 44 Sayı: 1 Sayfa Aralığı: 72 - 80 Metin Dili: İngilizce DOI: 10.17776/csj.1117056 İndeks Tarihi: 25-05-2023

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

Öz:

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.

Anahtar Kelime: Boron-Imine compounds SARS-CoV-2_Omicron p450 ADME Molecular docking.

Belge Türü: Makale Makale Türü: Araştırma Makalesi Erişim Türü: Erişime Açık

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APA	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. , 72 - 80. 10.17776/csj.1117056
Chicago	SAYIN Koray,Ataseven Hilmi Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. (2023): 72 - 80. 10.17776/csj.1117056
MLA	SAYIN Koray,Ataseven Hilmi Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. , 2023, ss.72 - 80. 10.17776/csj.1117056
AMA	SAYIN K,Ataseven H Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. . 2023; 72 - 80. 10.17776/csj.1117056
Vancouver	SAYIN K,Ataseven H Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. . 2023; 72 - 80. 10.17776/csj.1117056
IEEE	SAYIN K,Ataseven H "Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2." , ss.72 - 80, 2023. 10.17776/csj.1117056
ISNAD	SAYIN, Koray - Ataseven, Hilmi. "Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2". (2023), 72-80. https://doi.org/10.17776/csj.1117056

APA	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, 44(1), 72 - 80. 10.17776/csj.1117056
Chicago	SAYIN Koray,Ataseven Hilmi Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. Cumhuriyet Science Journal 44, no.1 (2023): 72 - 80. 10.17776/csj.1117056
MLA	SAYIN Koray,Ataseven Hilmi Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. Cumhuriyet Science Journal, vol.44, no.1, 2023, ss.72 - 80. 10.17776/csj.1117056
AMA	SAYIN K,Ataseven H Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. Cumhuriyet Science Journal. 2023; 44(1): 72 - 80. 10.17776/csj.1117056
Vancouver	SAYIN K,Ataseven H Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2. Cumhuriyet Science Journal. 2023; 44(1): 72 - 80. 10.17776/csj.1117056
IEEE	SAYIN K,Ataseven H "Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2." Cumhuriyet Science Journal, 44, ss.72 - 80, 2023. 10.17776/csj.1117056
ISNAD	SAYIN, Koray - Ataseven, Hilmi. "Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2". Cumhuriyet Science Journal 44/1 (2023), 72-80. https://doi.org/10.17776/csj.1117056