METHOD FOR IDENTIFYING XANTHAHUMOL-BASED DERIVATIVES

Abstract

ABSTRACT A method (100) for identifying Xanthahumol-based derivatives as potential transmembrane tyrosine kinase inhibitors for the treatment of breast cancer. Further, the method comprising generating molecular structures of Xanthahumol derivatives using cheminformatics software. Further, the method (100) comprising the steps of conducting virtual screening of the generated derivatives against a receptor tyrosine kinase target protein using molecular docking techniques to assess binding affinities. Further, the method (100) comprising the steps of selecting candidate derivatives based on their binding affinities and interaction profiles with the target protein. Further, the method (100) comprising the steps of performing ADME (Absorption, Distribution, Metabolism, and Excretion) analysis to evaluate the pharmacokinetic properties of the selected derivatives. Further, the method (100) comprising the steps of assessing the toxicity profiles of the selected

Specification

Description:FIELD OF THE DISCLOSURE
[0001] This invention generally relates to the field of cancer therapeutics and, in particular, relates to a method for identifying novel Xanthahumol-based derivatives as transmembrane tyrosine kinase inhibitors aimed at the treatment of breast cancer.
BACKGROUND
[0002] The subject matter discussed in the background section should not be assumed to be prior art merely as a result of its mention in the background section. Similarly, a problem mentioned in the background section or associated with the subject matter of the background section should not be assumed to have been previously recognized in the prior art. The subject matter in the background section merely represents different approaches, which in and of themselves may also correspond to implementations of the claimed technology.
[0003] Breast cancer remains one of the leading causes of cancer-related morbidity and mortality worldwide, necessitating the development of more effective therapeutic strategies. Traditional treatm , Claims:1. A method (100) for identifying Xanthahumol-based derivatives as potential transmembrane tyrosine kinase inhibitors for the treatment of breast cancer, the method comprising the steps of:
generating molecular structures of Xanthahumol derivatives using cheminformatics software;
conducting virtual screening of the generated derivatives against a receptor tyrosine kinase target protein using molecular docking techniques to assess binding affinities;
selecting candidate derivatives based on their binding affinities and interaction profiles with the target protein;
performing ADME (Absorption, Distribution, Metabolism, and Excretion) analysis to evaluate the pharmacokinetic properties of the selected derivatives; and
assessing the toxicity profiles of the selected derivatives to identify lead compounds with high binding affinity and low toxicity for further development.

2. The method (100) as claimed in claim 1, wherein the selected candidate derivatives exhibit a binding affinity of less than -9.0 kcal/mol, i

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