Diabetes has become a global epidemic, affecting even the younger people on an alarming scale. Inhibiting intestinal α-glucosidase is one of the key approaches to managing type 2 diabetes (T2D). In the present study, phenolic compounds (PCs) produced by endophytic fungi as potential α-glucosidase inhibitors (AGIs) are explored through ADMET profiling, molecular docking, and molecular dynamics (MD) Simulations.
View Article and Find Full Text PDFBackground And Purpose: Epilepsy is a common and heterogenous neurological disorder characterized by recurrent spontaneous seizures. Animal models like rats play a crucial role in finding of mechanism of epilepsy in different brain regions. i.
View Article and Find Full Text PDFProtein engineering by directed evolution is time-consuming. Hence, in silico techniques like FoldX-Yasara for ∆∆G calculation, and SNPeffect for predicting propensity for aggregation, amyloid formation, and chaperone binding are employed to design proteins. Here, we used in silico techniques to engineer BDNF-NTF3 interaction and validated it using mutations with known functional implications for NGF dimer.
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