Hello, I am consultant at RASA Life Science Informatics. I have screened the novel scaffold inhibitors against the bacterial hydrolysing enzyme betalactamases (NDM-1,CTX-M-15 and AmpC) and developed the drug screening models for future use to screen the chemical libraries. QSAR models were developed using the SVM, Random Forest and ANN. These machine learning algorithms were used on R platform. Molecular docking was performed by GOLD (commercial software) and Autodoc vina. Top hits from ligand and structure based virtual screening were experimentally investigated using microbiological experiments in combination with different antibiotics. Furthermore for the utility of the developed models, we have also built the webserver (betalactome.amu.ac.in).You can get in touch with me through LinkedIn.



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