Molecular Docking Human Plasma Kallikrein to Prevent Acute Respiratory Distress Syndrome(ARDS) in COVID-19 Patient
نویسندگان
چکیده
SARS CoV-2 infection causes various clinical manifestations ranging from mild to severe. Acute RespiratoryDistress Syndrome (ARDS) is a severe complication of COVID-19 caused by activation the kallikreinkininsystem which produces bradykinin potent proinflammatory mediator. This research anin silico study aims determine potential active medicinal plant compounds in inhibiting thekallikrein-kinin system.Molecular docking this using Autodock 4.2 with Lamarckian GA criteria.Human plasma kallikrein (PDB ID: 5TJX) was docked 70 and one native ligandand analyzedusing 4.2.The smallest binding energy obtained 5TJX several compoundsin 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, compound shows bestpotential as inhibitor. However, further still needed potentialof drugs for medical treatment.
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ژورنال
عنوان ژورنال: Indian journal of forensic medicine and toxicology
سال: 2021
ISSN: ['0973-9122', '0973-9130']
DOI: https://doi.org/10.37506/ijfmt.v15i4.16860