Molecular Docking Human Plasma Kallikrein to Prevent Acute Respiratory Distress Syndrome(ARDS) in COVID-19 Patient

Authors

  • Feriawan Tan
  • Cindy ApriliaEkaPrasanty
  • Anna Surgean Veterini
  • YuaniSetiawati
  • Rizki Awaluddin
  • Fadilah Fadilah
  • Siti Khaerunnisa

DOI:

https://doi.org/10.37506/ijfmt.v15i4.16860

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 kallikreinkinin
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.

Author Biographies

Feriawan Tan

Student, Faculty of Medicine, Airlangga University, Surabaya, East Java 60132, Indonesia

Cindy ApriliaEkaPrasanty

Student, Faculty of Medicine, Airlangga University, Surabaya, East Java 60132, Indonesia

Anna Surgean Veterini

Lecturer, Department of Anesthesiology and Reanimation, General Hospital Dr.Soetomo-Faculty of Medicine, Airlangga University,Surabaya, East Java 60132, Indonesia

YuaniSetiawati

Lecturer, Department of Anatomy Histology and Pharmacology, Faculty of Medicine, Airlangga University, Surabaya, East Java 60132, Indonesia

Rizki Awaluddin

Lecturer, Department of Pharmacy,Faculty of Health Science, University of Darussalam Gontor, Ponorogo, East Java 63471, Indonesia

Fadilah Fadilah

Lecturer,Department of Medicinal Chemistry, Faculty of Medicine, University of Indonesia, Central Jakarta, Jakarta 10430, Indonesia

Siti Khaerunnisa

Lecturer, Department of Physiology and Medical Biochemistry, Faculty of Medicine, Airlangga
University, Surabaya, East Java 60132, Indonesia

Published

2021-08-16

How to Cite

Feriawan Tan, Cindy ApriliaEkaPrasanty, Anna Surgean Veterini, YuaniSetiawati, Rizki Awaluddin, Fadilah Fadilah, & Siti Khaerunnisa. (2021). Molecular Docking Human Plasma Kallikrein to Prevent Acute Respiratory Distress Syndrome(ARDS) in COVID-19 Patient. Indian Journal of Forensic Medicine & Toxicology, 15(4), 1146-1151. https://doi.org/10.37506/ijfmt.v15i4.16860