Network Pharmacology Study to Elucidate the Key Targets of Underlying Antihistamines against COVID-19 was written by Oh, Ki-Kwang;Adnan, Md.;Cho, Dong-Ha. And the article was included in Current Issues in Molecular Biology in 2022.Quality Control of 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid The following contents are mentioned in the article:
Antihistamines have potent efficacy to alleviate COVID-19 (Coronavirus disease 2019) symptoms such as anti-inflammation and as a pain reliever. However, the pharmacol. mechanism(s), key target(s), and drug(s) are not documented well against COVID-19. Thus, we investigated to decipher the most significant components and how its research methodol. was utilized by network pharmacol. The list of 32 common antihistamines on the market were retrieved via drug browsing databases. The targets associated with the selected antihistamines and the targets that responded to COVID-19 infection were identified by the Similarity Ensemble Approach (SEA), SwissTargetPrediction (STP), and PubChem, resp. We described bubble charts, the Pathways-Targets-Antihistamines (PTA) network, and the protein-protein interaction (PPI) network on the RPackage via STRING database. Furthermore, we utilized the AutoDock Tools software to perform mol. docking tests (MDT) on the key targets and drugs to evaluate the network pharmacol. perspective. The final 15 targets were identified as core targets, indicating that Neuroactive ligand-receptor interaction might be the hub-signaling pathway of antihistamines on COVID-19 via bubble chart. The PTA network was constructed by the RPackage, which identified 7 pathways, 11 targets, and 30 drugs. In addition, GRIN2B, a key target, was identified via topol. anal. of the PPI network. Finally, we observed that the GRIN2B-Loratidine complex was the most stable docking score with -7.3 kcal/mol through mol. docking test. Our results showed that Loratadine might exert as an antagonist on GRIN2B via the neuroactive ligand-receptor interaction pathway. To sum up, we elucidated the most potential antihistamine, a key target, and a key pharmacol. pathway as alleviating components against COVID-19, supporting scientific evidence for further research. This study involved multiple reactions and reactants, such as 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid (cas: 83799-24-0Quality Control of 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid).
2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid (cas: 83799-24-0) belongs to piperidine derivatives. The piperidine structural motif is present in numerous natural alkaloids. These include piperine, which gives black pepper its spicy taste. Some chemotherapeutic agents have piperidine moiety within their structure, foremost among them, vinblastine and raloxifene.Quality Control of 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid
Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem