The Potential of Ameliorating COVID-19 and Sequelae From Andrographis paniculata via Bioinformatics
Authors:
Open Access
- 12 January 2023
- journal article
- research article
- Published by SAGE Publications in Bioinformatics and Biology Insights
- Vol. 17
Abstract
The current coronavirus disease 2019 (COVID-19) outbreak is alarmingly escalating and raises challenges in finding efficient compounds for treatment. Repurposing phytochemicals in herbs is an ideal and economical approach for screening potential herbal components against COVID-19. Andrographis paniculata, also known as Chuan Xin Lian, has traditionally been used as an anti-inflammatory and antibacterial herb for centuries and has recently been classified as a promising herbal remedy for adjuvant therapy in treating respiratory diseases. This study aimed to screen Chuan Xin Lian’s bioactive components and elicit the potential pharmacological mechanisms and plausible pathways for treating COVID-19 using network pharmacology combined with molecular docking. The results found terpenoid (andrographolide) and flavonoid (luteolin, quercetin, kaempferol, and wogonin) derivatives had remarkable potential against COVID-19 and sequelae owing to their high degrees in the component-target-pathway network and strong binding capacities in docking scores. In addition, the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis showed that the PI3K-AKT signaling pathway might be the most vital molecular pathway in the pathophysiology of COVID-19 and long-term sequelae whereby therapeutic strategies can intervene.Keywords
This publication has 71 references indexed in Scilit:
- SwissDock, a protein-small molecule docking web service based on EADock DSSNucleic Acids Research, 2011
- Evaluation of Immunomodulatory Activity of an Extract of Andrographolides fromAndographis paniculataPlanta Medica, 2009
- Network pharmacologyNature Biotechnology, 2007
- CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residuesNucleic Acids Research, 2006
- Antiviral properties of ent-labdene diterpenes ofAndrographis paniculata nees, inhibitors of herpes simplex virus type 1Phytotherapy Research, 2005
- UCSF Chimera—A visualization system for exploratory research and analysisJournal of Computational Chemistry, 2004
- Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction NetworksGenome Research, 2003
- The Protein Data BankNucleic Acids Research, 2000
- Reduced surface: An efficient way to compute molecular surfacesBiopolymers, 1996
- A double‐blind study with a new monodrug Kan Jang: Decrease of symptoms and improvement in the recovery from common coldsPhytotherapy Research, 1995