BESFA: bioinformatics based evolutionary, structural & functional analysis of Prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs
Sahar Qazi,
Bimal Prasad Jit,
Abhishek Das,
Muthukumarasamy Karthikeyan,
Amit Saxena,
M.D. Ray,
Angel Rajan Singh,
Khalid Raza,
B. Jayaram,
Ashok Sharma
Affiliations
Sahar Qazi
Department of Biochemistry, All India Institute of Medical Sciences, Delhi 110029, India; Department of Computer Science, Jamia Millia Islamia, New Delhi 110025, India
Bimal Prasad Jit
Department of Biochemistry, All India Institute of Medical Sciences, Delhi 110029, India
Abhishek Das
Department of Biochemistry, All India Institute of Medical Sciences, Delhi 110029, India
Muthukumarasamy Karthikeyan
National Chemical Laboratory, Council of Scientific and Industrial Research (NCL-CSIR), Pune, Maharashtra, India
Amit Saxena
Centre for Development of Advanced Computing, Pune, Maharashtra, India
M.D. Ray
Dr. B.R.A Institute-Rotary Cancer Hospital, All India Institute of Medical Sciences, Delhi 110029, India
Angel Rajan Singh
Dr. B.R.A Institute-Rotary Cancer Hospital, All India Institute of Medical Sciences, Delhi 110029, India
Khalid Raza
Department of Computer Science, Jamia Millia Islamia, New Delhi 110025, India
B. Jayaram
Supercomputing Facility for Bioinformatics & Computational Biology, Indian Institute of Technology, Delhi, India
Ashok Sharma
Department of Biochemistry, All India Institute of Medical Sciences, Delhi 110029, India; Corresponding author.
The POTE family comprises 14 paralogues and is primarily expressed in Prostate, Placenta, Ovary, Testis, Embryo (POTE), and cancerous cells. The prospective function of the POTE protein family under physiological conditions is less understood. We systematically analyzed their cellular localization and molecular docking analysis to elucidate POTE proteins' structure, function, and Adaptive Divergence. Our results suggest that group three POTE paralogs (POTEE, POTEF, POTEI, POTEJ, and POTEKP (a pseudogene)) exhibits significant variation among other members could be because of their Adaptive Divergence. Furthermore, our molecular docking studies on POTE protein revealed the highest binding affinity with NCI-approved anticancer compounds. Additionally, POTEE, POTEF, POTEI, and POTEJ were subject to an explicit molecular dynamic simulation for 50ns. MM-GBSA and other essential electrostatics were calculated that showcased that only POTEE and POTEF have absolute binding affinities with minimum energy exploitation. Thus, this study’s outcomes are expected to drive cancer research to successful utilization of POTE genes family as a new biomarker, which could pave the way for the discovery of new therapies.
