Thirty-Two Selected Cissus quadrangularis Phytoconstituents as Modulating Agents of Human Intestinal-Type Fatty Acid Binding Protein and Carnosinase 2: An In silico Study

Background and Objectives

Cissus quadrangularis (Pirandai) is well known for various biological activities. In the present investigation, we aimed to study thirty-two selected phytoconstituents of C. quadrangularis (Pirandai) as potent modulating agents of human Intestinal-type Fatty Acid Binding Protein (hI-FABP) and human Carnosinase 2 (hCN 2) using a docking approach.

Materials and Methods

The thirty-two chosen constituents were studied on the docking behavior of hI-FABP and hCN 2 using the Swiss dock method. In addition to docking, toxicity analysis of 32 chosen ligands was determined using the Pro-Tox 3 online server.

Results

Toxicity analysis predicted two ligands (3-O-Methylgallic acid and 9Z,12Z,15Z-Octadecatrienoic acid) to have cytochrome P450 1A2 inhibitory activity. Docking results revealed that Ligustrosidic acid and Linarin exhibited the highest binding energy (-9.50 and -10.01 kcal/mol) with hI-FABP and hCN 2, respectively.

Conclusion

The findings provide new knowledge of these ligands as potent modulating agents, which will aid in managing health and well-being, particularly obesity-related disorders.