Affiliation:
1. Osmania University
2. DRILS: Dr Reddy's Institute of Life Sciences
Abstract
Abstract
Andrographolide is obtained from Andrographis paniculata, it is an important herbal medicine, and it is used for cancer treatment and other various diseases. Andrographolide is the major chemical constituent of the extraction of Andrographis paniculata. It is a series of new andrographolide analogous that were designed based on structural activity relationship properties then minimized ADMET prediction and docked against potential PI3K Inhibitor (PDB ID: 3ML8) using Schrödinger software. Andrographolide analogous shows a good binding affinity towards the active site of the protein. Molecular docking compounds 5a, 5b, 5f, 5i shows the best fit to the receptor and MTT assay (MCF-7) some of the andrographolide analogous show good IC50 values compared to the doxorubicin as a standard. Compounds 5b, 5i, 5f shows the microscopic observations revealed that all test molecules exhibited notable morphological changes against MCF-7 cells compared to untreated cells.
Publisher
Research Square Platform LLC
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