Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran.
Department of Medicinal Chemistry, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran.
Curr Drug Discov Technol. 2024;21(6):e050324227669. doi: 10.2174/0115701638279362240223070810.
Numerous clinical trials are currently investigating the potential of nitric oxide (NO) as an antiviral agent against coronaviruses, including SARS-CoV-2. Additionally, some researchers have reported positive effects of certain Sartans against SARS-CoV-2.
Considering the impact of NO-Sartans on the cardiovascular system, we have compiled information on the general structure, synthesis methods, and biological studies of synthesized NOSartans. evaluation of all NO-Sartans and approved sartans against three key SARS-CoV- -2 targets, namely M (PDB ID: 6LU7), NSP16 (PDB ID: 6WKQ), and ACE-2 (PDB ID: 1R4L), was performed using MOE.
Almost all NO-Sartans and approved sartans demonstrated promising results in inhibiting these SARS-CoV-2 targets. Compound 36 (CLC-1280) showed the best docking scores against the three evaluated targets and was further evaluated using molecular dynamics (MD) simulations.
Based on our studies, CLC-1280 (a Valsartan dinitrate) has the potential to be considered as an inhibitor of the SARS-CoV-2 virus. However, further and evaluations are necessary for the drug development process.
目前，许多临床试验正在研究一氧化氮（NO）作为一种抗病毒药物对抗冠状病毒的潜力，包括 SARS-CoV-2。此外，一些研究人员已经报告了某些沙坦类药物对 SARS-CoV-2 的积极影响。
考虑到 NO-Sartans 对心血管系统的影响，我们编译了有关合成 NOSartans 的一般结构、合成方法和生物学研究的信息。使用 MOE 对所有的 NO-Sartans 和已批准的沙坦类药物对三个关键的 SARS-CoV-2 靶点（即 M（PDB ID：6LU7）、NSP16（PDB ID：6WKQ）和 ACE-2（PDB ID：1R4L））进行了评估。
几乎所有的 NO-Sartans 和已批准的沙坦类药物都显示出对这些 SARS-CoV-2 靶点有抑制作用的良好效果。化合物 36（CLC-1280）在三个评估靶点上表现出最佳的对接分数，并用分子动力学（MD）模拟进行了进一步评估。
根据我们的研究，CLC-1280（一种缬沙坦二硝酸酯）有可能被考虑作为 SARS-CoV-2 病毒的抑制剂。然而，药物开发过程中还需要进一步的临床和临床试验。
