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Online Journal of Bioinformatics©
Volume 23 (3):218-233, 2022.
In silico structural and functional characterization of human adenosine receptors.
Srinivas Bandaru1, Sirat Sikka1, Jyothy A1, Hema Prasad. M1, Mukesh Yadav3 and Anuraj Nayarisseri S*2
1Institute of Genetics and Hospital for Genetic Diseases, Osmania University, Hyderabad, 2In silico Research Laboratory, Eminent Biosciences, Indore , 3Dept. of Pharmaceutical Chemistry, Softvision College, Indore, India.
Bandaru S, Sikka S, Jyothy A, Prasad HM, Yadav M, Nayarisseri AS, In silico structural and functional characterization of human adenosine receptors, Onl J Bioinform., 23 (3):218-233, 2022. G-protein coupled adenosine receptors are potential drug targets for central nervous system, inflammatory and ischemic injury. We report In silico structural and functional properties of human adenosine receptor subtypes viz, A1, A2A, A2B and A3. Physico-chemical aspects of proteins analyzed by ExPASy’s ProtParam and 2nd structure by ExPASy’s SOPMA revealed predominant α helices in receptors. Disulphide linkages predicted with CYS_REC and RasMol and TMHMM topology revealed 7 transmembrane regions in subtypes. We predicted conserved regions by multiple sequence alignment with PRALINE showing greater identity compared to extracellular and cytoplasmic regions. 3D structure of A2A subtype is not available in PDB A1, A2B and A3; so we constructed these by validated homology modeling.
Keywords: Human adenosine receptors, Disulphide bridges, Transmembrane prediction, Conserved regions, Homology modeling.