TY - JOUR
T1 - Network pharmacology reveals multitarget mechanism of action of drugs to be repurposed for COVID-19
AU - Alegría-Arcos, Melissa
AU - Barbosa, Tábata
AU - Sepúlveda, Felipe
AU - Combariza, German
AU - González, Janneth
AU - Gil, Carmen
AU - Martínez, Ana
AU - Ramírez, David
N1 - Publisher Copyright:
Copyright © 2022 Alegría-Arcos, Barbosa, Sepúlveda, Combariza, González, Gil, Martínez and Ramírez.
PY - 2022/8/17
Y1 - 2022/8/17
N2 - The coronavirus disease 2019 pandemic accelerated drug/vaccine development processes, integrating scientists all over the globe to create therapeutic alternatives against this virus. In this work, we have collected information regarding proteins from SARS-CoV-2 and humans and how these proteins interact. We have also collected information from public databases on protein–drug interactions. We represent this data as networks that allow us to gain insights into protein–protein interactions between both organisms. With the collected data, we have obtained statistical metrics of the networks. This data analysis has allowed us to find relevant information on which proteins and drugs are the most relevant from the network pharmacology perspective. This method not only allows us to focus on viral proteins as the main targets for COVID-19 but also reveals that some human proteins could be also important in drug repurposing campaigns. As a result of the analysis of the SARS-CoV-2–human interactome, we have identified some old drugs, such as disulfiram, auranofin, gefitinib, suloctidil, and bromhexine as potential therapies for the treatment of COVID-19 deciphering their potential complex mechanism of action.
AB - The coronavirus disease 2019 pandemic accelerated drug/vaccine development processes, integrating scientists all over the globe to create therapeutic alternatives against this virus. In this work, we have collected information regarding proteins from SARS-CoV-2 and humans and how these proteins interact. We have also collected information from public databases on protein–drug interactions. We represent this data as networks that allow us to gain insights into protein–protein interactions between both organisms. With the collected data, we have obtained statistical metrics of the networks. This data analysis has allowed us to find relevant information on which proteins and drugs are the most relevant from the network pharmacology perspective. This method not only allows us to focus on viral proteins as the main targets for COVID-19 but also reveals that some human proteins could be also important in drug repurposing campaigns. As a result of the analysis of the SARS-CoV-2–human interactome, we have identified some old drugs, such as disulfiram, auranofin, gefitinib, suloctidil, and bromhexine as potential therapies for the treatment of COVID-19 deciphering their potential complex mechanism of action.
KW - COVID-19
KW - SARS-CoV-2
KW - drug repurposing
KW - network pharmacology
KW - polypharmacology
KW - protein–drug interaction network
KW - protein–protein interaction network
UR - http://www.scopus.com/inward/record.url?scp=85137023416&partnerID=8YFLogxK
U2 - 10.3389/fphar.2022.952192
DO - 10.3389/fphar.2022.952192
M3 - Article
AN - SCOPUS:85137023416
SN - 1663-9812
VL - 13
JO - Frontiers in Pharmacology
JF - Frontiers in Pharmacology
M1 - 952192
ER -