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蛋白酶的重新利用:细胞外真菌蛋白酶与选定病毒蛋白结合潜力的分析

Repurposing proteases: An analysis of the binding potential of extracellular fungal proteases with selected viral proteins.

作者信息

Christopher Meera, Kooloth-Valappil Prajeesh, Sreeja-Raju Athiraraj, Sukumaran Rajeev K

机构信息

Biofuels and Biorefineries Section, Microbial Processes and Technology Division, CSIR- National Institute for Interdisciplinary Science and Technology, Industrial Estate P.O., Pappanamcode, Thiruvananthapuram 695019, Kerala, India.

Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh 201002, India.

出版信息

Bioresour Technol Rep. 2021 Sep;15:100756. doi: 10.1016/j.biteb.2021.100756. Epub 2021 Jul 1.

Abstract

Proteases have long been the target of many drugs, but their potential as therapeutic agents is a well-known, but under-explored area. Due to the heightened threat from new and emerging infectious agents, it is worthwhile to tap into the vast microbial protease resource to identify potential therapeutics. By docking proteases of the fungus NCIM 1366 with the proteins encoded by the SARS-CoV-2 virus, the enzymes that have the potential to bind with, and thereby degrade viral proteins were identified. docking analysis revealed that both fungal and commercially available proteases belonging to the A1A, M20A, S10, S8A and T1A families were able to bind the viral spike, envelope, ORF-7a and Nsp2 proteins (binding energy < -50 kJ/mol), thereby opening up the possibility of developing additional therapeutic applications for these enzymes.

摘要

蛋白酶长期以来一直是许多药物的靶点,但其作为治疗剂的潜力是一个众所周知但尚未充分探索的领域。由于新出现的传染病原体带来的威胁不断增加,挖掘庞大的微生物蛋白酶资源以识别潜在的治疗方法是值得的。通过将真菌NCIM 1366的蛋白酶与严重急性呼吸综合征冠状病毒2(SARS-CoV-2)病毒编码的蛋白质进行对接,确定了有可能与病毒蛋白结合并进而降解病毒蛋白的酶。对接分析表明,属于A1A、M20A、S10、S8A和T1A家族的真菌蛋白酶和市售蛋白酶都能够结合病毒刺突蛋白、包膜蛋白、开放阅读框7a(ORF-7a)蛋白和非结构蛋白2(Nsp2)蛋白(结合能< -50 kJ/mol),从而为开发这些酶的其他治疗应用开辟了可能性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d440/8245309/9114150958a3/ga1_lrg.jpg

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