Recent Advance Docking Sites of Novel Phenothiazine’s Derivative on G Protein-Coupled Receptors (GPCRs) against Depression with Monoamine Oxidase (PDB ID: 2BXR)

Background

GPCRs are among the most effective therapeutic target families. They have undergone a transition from ligand screening at random to knowledge-driven drug design. We are seeing first-hand the enormous strides lately achieved in our comprehension of their structure-function linkages, which have enabled medication development at a never-before- seen rate.

Materials and Methods

By merging two or more bioactive scaffold pharmacophores, drugs with increased effectiveness have been created by the molecular hybridization technique. In this case, the hybridization of different relevant pharmacophores with derivatives of phenothiazine has produced relevant compounds that interact with one or more targets and have a variety of biological functions. The phenothiazine system, which is often found in compounds with antipsychotic, antihistaminic and antimuscarinic properties, has actually been linked to a variety of activities that make the creation of novel medications or drug candidates based on this tricyclic system a potential strategy.

Results

The derivatives A1, A8 and A18 were found to be the most promising options because they showed the highest binding energies and a wide range of interaction types, such as pi interactions and hydrogen bonds, over various distances. A1, A8 and A18 in particular showed the highest binding energy. Superior binding affinities and a range of interaction mechanisms with the target protein were demonstrated by these derivatives, indicating that they have considerable potential as lead compounds for the development of therapeutic medications in the future.

Conclusion

The creation of phenothiazine hybrids is summarised in the current study report. Numerous derivatives with strong binding affinities and distinctive interaction patterns with the target protein were found, according to the molecular docking analysis. The creation of phenothiazine hybrids and their biological activity is summarised in the current study report. Numerous derivatives with strong binding affinities and distinctive interaction patterns with the target protein were found, according to the molecular docking analysis.