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Indian Journal of Forensic Medicine and Toxicology ; 15(4):1146-1158, 2021.
Article in English | EMBASE | ID: covidwho-1449601

ABSTRACT

SARS CoV-2 infection causes various clinical manifestations ranging from mild to severe. Acute Respiratory Distress Syndrome (ARDS) is a severe complication of COVID-19 caused by activation of the kallikrein-kinin system which produces bradykinin which is a potent proinflammatory mediator. This research is an in silico study which aims to determine the potential of active medicinal plant compounds in inhibiting the kallikrein-kinin system.Molecular docking in this study using Autodock 4.2 with Lamarckian GA criteria. Human plasma kallikrein (PDB ID: 5TJX) was docked with 70 compounds and one native ligandand analyzed using Autodock 4.2.The smallest binding energy obtained from docking 5TJX with several compounds in sequence, namely, xanthohumol, nafamostat, demethoxycurcumin, epicatechingallate, beta mangostin, alpha mangostin (-9.52,-9.35,-9.33,-9.28,-9.19,-9.06 kcal/mol). Therefore, the compound shows the best potential as a plasma kallikrein inhibitor. However, further research is still needed to determine the potential of drugs and medicinal plant active compounds for medical treatment.

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