Network Pharmacology and bioinformatics analyses identify intersection genes of niacin and COVID-19 as potential therapeutic targets

• Published in: Briefings in bioinformatics Vol. 22; no. 2; pp. 1279 - 1290
• Main Authors: Li, Rong, Li, Yu, Liang, Xiao, Yang, Lu, Su, Min, Lai, Keng Po
• Format: Journal Article
• Language: English
• Published: England Oxford University Press 22.03.2021; Oxford Publishing Limited (England)
• Subjects: Aged; Binding; Bioinformatics; Case Study; Colorectal carcinoma; Colorectal Neoplasms - genetics; Computational Biology; Computer applications; Computer programs; Coronaviruses; COVID-19; COVID-19 - drug therapy; COVID-19 - virology; Female; Functionals; Genes; Humans; Inflammation; Interleukin 1; Male; Medical prognosis; Microenvironments; Middle Aged; Molecular docking; Molecular Docking Simulation; Niacin - pharmacology; Niacin - therapeutic use; Nicotinic acid; Pandemics; Patients; Pharmacology; SARS-CoV-2 - drug effects; Survival; Viral diseases; Vitamin B; COVID-19; computational biology; niacin; network pharmacology; prognosis; colorectal neoplasms
• DOI: 10.1093/bib/bbaa300
• ISSN: 1467-5463; 1477-4054

Abstract Objectives Patients with colorectal cancer (CRC) may be susceptible to the coronavirus disease-2019 (COVID-19). However, anti-CRC/COVID-19 treatment options are currently unavailable. Since niacin is a vitamin with cytoprotective and anti-inflammatory functions, this study aimed to evaluate the possible functional roles and underlying mechanisms of action of niacin as an anti-COVID-19 and -CRC therapy. Interventions We used a series of network pharmacology-based and computational analyses to understand and characterize the binding capacity, biological functions, pharmacological targets and therapeutic mechanisms of niacin in CRC/COVID-19. Measurements and main results We revealed the clinical characteristics of CRC patients and COVID-19 patients, including predisposing genes, survival rate and prognosis. Moreover, the results of molecular docking analysis indicated that niacin exerted effective binding capacity in COVID-19. Further, we disclosed the targets, biological functions and signaling pathways of niacin in CRC/COVID-19. The analysis indicated that niacin could help in treating CRC/COVID-19 through cytoprotection, enhancement of immunologic functions, inhibition of inflammatory reactions and regulation of cellular microenvironment. Furthermore, five core pharmacological targets of niacin in CRC/COVID-19 were also identified, including BCL2L1, PTGS2, IL1B, IFNG and SERPINE1. Conclusions This study, for the first time, revealed the niacin-associated molecular functions and pharmacological targets for treating CRC/COVID-19, as COVID-19 remains a serious pandemic. But the findings were not validated in actual CRC patients infected with COVID-19, so further investigation is needed to confirm the potential use of niacin for treating CRC/COVID-19.