Cipargamin could inhibit human adenosine receptor A3 with higher binding affinity than Plasmodium falciparum P-type ATPase 4: An In silico study

Aim: This study aimed to predict the molecular targets of cipargamin in humans and estimate structural dynamics binding affinity their interactions compared that Plasmodium falciparum P-type ATPase 4 (PfATP4). Methods: In silico methods were used this which include target prediction, structure modeling dynamics, docking. Results: The results showed had 100% probability human adenosine A3 receptor (ADORA3) about 15% for other tyrosine-protein kinase JAK2, A2a receptor, phosphodiesterase 5A cathepsin K. docking energy PfATP4 hADORA3 were-12.40 kcal/mol-1 and-13.40 respectively. was validated by enprofylline fostamatinib hADORA3. Overall, closely similar fostamatinib. shows potential modulate activities parasite (P. falciparum) as well ADORA3 host (Homo sapiens). Conclusion: All previous studies cirpagamin have not implicated its action on hADORA3, thus provides an insight into a possible role mechanism malarial infection.