Docking Analysis of 17 Selected Artoindonesianins as Human Neutrophil Elastase, Matrix Metalloproteinase 9 and G9A like Protein Lysine Methyl Transferase Modulating agents.

Background and Objectives

The several Artoindonesianins have been reported from different Artocarpus species, and they are known for various biological activities. In the current investigation, we aimed to study 17 chosen Artoindonesianins of Artocarpus species as potent modulating agents of human Neutrophil Elastase (hNE), human Matrix Metalloproteinase 9 (hMMP 9) and human G9A like Protein Lysine Methyl Transferase (hPKMT) using molecular docking method.

Materials and methods

The 17 chosen Artoindonesianins of Artocarpus species were studied on the docking behaviour of hNE, hMMP 9 and hPKMT by utilizing the Swiss dock approach.

Results

The docking investigation showed that Artoindonesianin L (hMMP 9) and Artoindonesianin U (hNE and hPKMT) of Artocarpus species has exhibited the maximum binding energy (-9.14, -8.03 and -9.28 kcal/mol) with three target enzymes hMMP 9, hNE, and hPKMT respectively.

Conclusion

Thus, the present finding gives new insight about the 17 selected Artoindonesianins of Artocarpus species as potent modulating agents of human Neutrophil Elastase (hNE), human Matrix Metalloproteinase 9 (hMMP 9) and human G9A like protein Lysine Methyl Transferase (hPKMT) which will aid in managing cancer, inflammation, photo-aging and wounds.