Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations

Abstract

Communicated by Ramaswamy H. Sarma

Acknowledgements

The authors thank the High- Performance Computing support staff (Marc T. Hertlein and Leopoldo A. Hernandez) at The University of Texas at El Paso for assistance in using the Chanti cluster. The authors also thank Ricardo Avila and Michael Scott Long for reading and editing the paper.

Disclosure statement

No potential conflict of interest was reported by the authors.

Author contributions

SS conceived and supervised the project. FF performed all the Computational Work. DG performed the CEM cell line cytotoxicity assays and RA supervised it. AT performed the HCT116 and SW620 colon cancer cell lines cytotoxicity assays and CD supervised it. FF and SS wrote the manuscript. All others contributed to the analysis of results, reviewed, and edited the manuscript.