Work

Prioritization of phytochemical isolation and characterization against HER2 as a breast cancer target based on chromatographic methods, DFT studies, 3D-QSAR analysis, and molecular docking simulations

Year: 2025

Type: article

Abstract: molecular docking studies. Further, the physicochemical properties of these phytocompounds were analyzed using density functional theory (DFT) studies. These results suggest the efficiency of the method used to isolate phytocompounds with target-specific activity.

Source: RSC Advances

DOI: 10.1039/d5ra01800e

Authors: B. S. Lakshmi, Jayanna K. Bidarur, H. G. Anilkumar, B. S. Ravindranath

Institutions: PES University, Manipal Academy of Higher Education

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: gold

Estimated APC paid: $1,042