Presentation
P60 - An Insilico Analysis of Schiff Base Derivatives to Identify Potential Inbhitors for Breast Cancer Multitargeted Proteins: Virtual Screening and Molecular Dynamics Simulation
Presenter
DescriptionBreast cancer is one of the most common malignancies in women worldwide and is a leading cause of mortality in every country. In order to create a potent treatment for breast cancer, this work uses bioinformatic approaches to identify appropriate and efficient compounds among a large number of molecules having Schiff bases. The proteins that are employed in this investigation are important contributor in breast cancer. Using the SwissADME online server, the Schiff base compounds with proven anticancer effects were examined for pathophysiological significance, pharmacokinetic traits, and drug-like qualities [1]. Additionally, the bioavailability and toxicity profiles of these compounds were evaluated using the SwissADME and ADMETlab 2.0 online servers, respectively. Using a bibliographic analysis, the six five receptors, EGFR, PR, mTOR, p53R2 and CTLA4 were identified. Furthermore, from the screening of 61 compounds, 58 molecules satisfied the Lipinski criterion. The compounds with each receptor were selected based on the binding affinity scores of 58 molecules, yielding the top 12 therapeutic candidates, all of which were risk-free and non-toxic. These results, in our opinion, will support the creation of conventional medical treatment modalities and the discovery of promising hits for lead optimization in the future development of breast cancer drugs.
TimeTuesday, June 2719:30 - 21:30 CEST
LocationHall
SessionPoster Session and Reception
Event Type
Poster