Structural insights and computational molecular docking to explore novel therapeutic drug targets of STAT3

Signal transducer and activator of transcription 3 (STAT3) is a factor, that contains DNA-binding domain, N-terminal SH2 domain. The dysregulation STAT3 activity has been associated with various diseases, such as chronic inflammation autoimmune disorders. In cancer, often constitutively activated promotes tumor cell survival, proliferation, immune evasion. Various bioinformatics approaches were employed to predict the 3D structure STAT3, followed by comprehensive evaluation predicted model. target protein revealed an overall quality factor 94. 45%. It was also observed through Ramachandran plot 1.26% residues present in outlier region structure. Computational docking studies done identify novel drug targets against STAT3. screened compound via high throughput virtual screening may have potential regulate lowest binding energy -8.7 Kcal/mol observed. His-457, Tyr-456, Lys-488, Pro-487, Gln-326, Leu-459, Lys-244, Gln-247 conserved structural insight functional determination depend on identification potent domain