Unlocking the Immunomodulatory Potential of Rosmarinic Acid Isolated from Punica granatum L. using Bioactivity-Guided Approach: In Silico, In Vitro, and In Vivo Approaches

Title:Unlocking the Immunomodulatory Potential of Rosmarinic Acid Isolated from Punica granatum L. using Bioactivity-Guided Approach: In Silico, In Vitro, and In Vivo Approaches

Volume: 31 Issue: 36

Author(s): Rupesh K. Gautam, Shailesh Mani Tripathi, Shopnil Akash, Sanjay Sharma, Komal Sharma, Swapnil Goyal, Sahar Behzad, Rohit Gundamaraju, Dinesh Kumar Mishra, Yingbo Zhang, Bairong Shen, Sandeep Sundriyal and Rajeev K. Singla*

Affiliation:

• Joint Laboratory of Artificial Intelligence for Critical Care Medicine, Department of Critical Care Medicine and Institutes for Systems Genetics, Frontiers Science Center for Disease-related Molecular Network, West China Hospital, Sichuan University, Chengdu, China
• School of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab-144411, India

Abstract:

Background: Punica granatum L. is well-known for its multifaceted therapeutic potential, including anti-inflammatory and immunomodulatory activities.

Aim: This study aimed to characterize an immunomodulatory compound isolated from Punica granatum L. using a bioactivity-guided approach.

Methods: Chromatographic techniques were adopted for isolation and purification of secondary metabolites. In silico, in vitro, and in vivo methods were performed to characterize the therapeutic potential of the isolated compound.

Results: Using preparative thin-layer chromatography, rosmarinic acid was isolated from F4 (column chromatography product obtained from a butanolic fraction of the extract). The impact of rosmarinic acid was assessed in rats using the neutrophil adhesion test, DTH response, and phagocytic index. In immunized rats, rosmarinic acid demonstrated significant immunomodulatory potential. Computational experiments, like molecular docking and molecular dynamics, were also conducted against two targeted receptors, Cereblon (PDB ID: 8AOQ) and human CD22 (PDB ID: 5VKM). Computational studies suggested that an increase in phagocytic index by rosmarinic acid could be attributed to inhibiting Cereblon and CD22. Pharmacokinetics and toxicity prediction also suggested the drug-likeness of rosmarinic acid.

Conclusion: Rosmarinic acid is a potential candidate, but extensive research needs to be done to translate this molecule from bench to bedside.

Cite this article as:

Gautam K. Rupesh, Tripathi Mani Shailesh, Akash Shopnil, Sharma Sanjay, Sharma Komal, Goyal Swapnil, Behzad Sahar, Gundamaraju Rohit, Mishra Kumar Dinesh, Zhang Yingbo, Shen Bairong, Sundriyal Sandeep and Singla K. Rajeev*, Unlocking the Immunomodulatory Potential of Rosmarinic Acid Isolated from Punica granatum L. using Bioactivity-Guided Approach: In Silico, In Vitro, and In Vivo Approaches, Current Medicinal Chemistry 2024; 31 (36) . https://dx.doi.org/10.2174/0109298673291064240227094654