Title:Mesalamine may be a Plausible Therapeutic Agent for the Management of Diabetic Wounds: A Computational Approach
Volume: 21
Issue: 10
Author(s): Jayrajsinh Jadeja, Priya Kakasaniya, Jaydip Asodariya, Vidyasrilekha Yele*Bharat Kumar Reddy Sanapalli*
Affiliation:
- Department of Pharmaceutical Chemistry,
Faculty of Pharmacy, Marwadi University, Rajkot, Gujarat, 360003, India
- Department of Pharmacology, Faculty of
Pharmacy, Marwadi University, Rajkot, Gujarat, 360003, India
- Department of Pharmacology, MB School of
Pharmaceutical Sciences, Mohan Babu University, Tirupati, Andhra Pradesh, 517102, India
Keywords:
Diabetic wound, mesalamine, mesalazine, 5-amino salicylic acid, molecular docking, binding free energy calculations.
Abstract:
Aims: Validation of mesalamine (MS) as a potential therapeutic agent in treating diabetic
wound (DW) healing using in silico approach.
Background: Diabetic wound (DW) is a serious consequence of diabetes that frequently results in the
amputation of the affected organ. Maggot therapy, pressure off-loading, surgical intervention, glucose
control, hyperbaric oxygen therapy, wound debridement, and other treatments are currently available for
DW. However, the majority of people do not meet all DW requirements due to significant pathology and
the high expense of the solutions.
Objective: To address the issues with current conventional therapy, we reasoned that repurposing existing
medication (MS) to a target receptor that plays a significant role in the progression of DW might be advantageous.
Mesalamine (MS), also known as Mesalazine or 5- Aminosalicylic acid, is an aminosalicylate
anti-inflammatory used to treat inflammatory bowel disease (IBD), ulcerative colitis (UC), inflamed anus
or rectum. The complicated pathophysiology of DW, which includes prolonged inflammation, increased
infection, decreased cell proliferation, and migration, is a serious issue. As a result, we chose the MMP-9,
TNF-α, MurC, ParE, and GSK-3β receptors as a universal target for treating the complex pathogenesis of
DW. The use of MS as a therapeutic modulator on MMP-9, TNF-α, MurC, ParE, and GSK-3β receptors
was studied in the current hypothetical investigation.
Methods: Computational studies such as molecular docking and MMGBSA were performed by using the
Schrödinger suite.
Results: Computational investigations, such as molecular docking and MMGBSA were used to test our
theory. It is clear from the in silico methods that MS has a higher binding affinity for the designated receptors.
Hence, it is predicted that MS may be a good therapeutic agent to use in the treatment of DW.
Conclusion: As a result of our findings, MS appears to be a unique therapeutic drug for the treatment of
DW. However, further studies are highly required to take MS into clinical use.
