Details

Autor(en) / Beteiligte

• Alamshany, Zahra M
• Khattab, Reham R
• Hassan, Nasser A
• El-Sayed, Ahmed A
• Tantawy, Mohamed A
• Mostafa, Ahmed
• Hassan, Allam A

Titel

Synthesis and Molecular Docking Study of Novel Pyrimidine Derivatives against COVID-19

Ist Teil von

• Molecules (Basel, Switzerland), 2023-01, Vol.28 (2), p.739

Ort / Verlag

Switzerland: MDPI AG

Erscheinungsjahr

2023

Link zum Volltext

Quelle

Free E-Journal (出版社公開部分のみ）

Beschreibungen/Notizen

• A novel series of pyrido[2,3- ]pyrimidines; pyrido[3,2- ][1,3,4]triazolo; and tetrazolo[1,5- ]pyrimidines were synthesized via different chemical transformations starting from pyrazolo[3,4- ]pyridin-6-yl)- , -dimethylcarbamimidic chloride (prepared from the reaction of -aminonitrile and phosogen iminiumchloride). The structures of the newly synthesized compounds were elucidated based on spectroscopic data and elemental analyses. Designated compounds are subjected for molecular docking by using Auto Dock Vina software in order to evaluate the antiviral potency for the synthesized compounds against SARS-CoV-2 (2019-nCoV) main protease M . The antiviral activity against SARS-CoV-2 showed that tested compounds , , and had the most promising antiviral activity with lower IC values compared to Lopinavir, "the commonly used protease inhibitor". Both in silico and in vitro results are in agreement.