Integrating Network Pharmacology and Molecular Docking to Assess Rutin’s Pharmacological Properties

Year : 2023 | Volume : 01 | Issue : 01 | Page : 17-27

    Govardhan R

  1. Student, Department of Biotechnology, Ramaiah university of applied sciences, Mathikere, Bengaluru, Karnataka, India


Objectives: In the present research, the network pharmacology process was applied to determine the underlying mechanism of the pharmacological properties of RUTIN. Network pharmacology was utilized to reveal the interactions between medications and the targets of illnesses, and it is capable of completely articulating the complexity between diseases and medications. The identification of diverse drug-target interactions using network pharmacology may be utilized to discover novel medications for difficult conditions like Parkinson’s & Alzheimer’s disease. RUTIN’s considerable antioxidant capabilities have led to a broad range of pharmaceutical uses. Methods: In this research, the binding affinity of RUTIN corresponding to the targeted proteins was analyzed (TNF, ALOX5, PTGS2, IL2& TERT). Pathway evaluation for these targets showed a nitrogen metabolism pathway. An online tool called PyRx was used to perform molecular docking. The study was done virtually using input and structure of protein and phytocompounds from UniProtKB and PubChem. With the help of BIOVIA discovery studio software, the protein structure was analyzed.ADMET screening was used to evaluate the RUTIN’s pharmacological properties. Results: The results from this research showed that the proteins ALOX5 and PTGS2 had the best binding affinity to RUTIN on performing molecular docking. Conclusion: According to the results of molecular docking, these target proteins have appropriate pharmacological effects, which offers a theoretical foundation and a hint for the investigation of the pharmacological mechanism of RUTIN.

Keywords: Parkinson’s & Alzheimer’s disorders, network pharmacology, molecular docking, nitrogen metabolism pathway

[This article belongs to International Journal of Molecular Biotechnological Research(ijmbr)]

How to cite this article: Govardhan R Integrating Network Pharmacology and Molecular Docking to Assess Rutin’s Pharmacological Properties ijmbr 2023; 01:17-27
How to cite this URL: Govardhan R Integrating Network Pharmacology and Molecular Docking to Assess Rutin’s Pharmacological Properties ijmbr 2023 {cited 2023 Mar 30};01:17-27. Available from:

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Regular Issue Subscription Review Article
Volume 01
Issue 01
Received March 2, 2023
Accepted March 15, 2023
Published March 30, 2023