Introduction: Intra-abdominal adhesions, especially intestinal adhesions and obstructions, are the most common complications after open abdominal and pelvic surgeries. Angiotensin Receptor Protein (ARB) is an essential protein involved in intestinal adhesion. This study aimed to identify new therapeutic compounds for preventing post-surgical adhesions.
Methods: The literature reviews identified ARBs as essential proteins in intestinal adhesion. Potential active sites for recognized target proteins were identified. The protein-ligand interaction was predicted by Molegro Virtual Docker (MVD) software. The interaction of ARBs with over 80000 drug-like compounds from the ZINC database was assessed by molecular docking. The designated compounds from the molecular docking were subjected to ADME prediction to assess drug limitations. The resulting molecules were subjected to Swiss Similarity software, and evaluation was performed using a Food and Drug Administration (FDA)- approved drugs library. Molecular dynamics (MD) simulations were performed using the GROMACS package version 2020.1 to assess the structural stability of the hit compounds.
Results: Four molecules, including ZINC000067920967, ZINC000161524911, ZINC000067587085, and ZINC000604511089, can block ARBs. ADME analysis demonstrated that these four molecules could be used as drugs. ADME analysis of these molecules revealed that they could be utilized as medicinal compounds. Additionally, the similarity screening against this molecule revealed that Teveten (Eprosartan), an FDA-approved drug, can be considered a therapeutic candidate for post-surgical adhesion.
Conclusion: The therapeutic compounds identified in this study, which block ARBs, can be utilized for post-surgical adhesion treatment. Additionally, Eprosartan, as an FDA-approved medication, exhibits anti-adhesion effects and may be a suitable candidate for preventing intestinal adhesions after abdominal surgery. However, more studies, such as clinical trials and animal studies, are essential.