Exploring benzofuran derivatives as selective MAO-B inhibitors: a multilayered in silico study
A total of thirty-seven benzofuran derivatives were analyzed as potential monoamine oxidase B (MAO-B) inhibitors using a variety of computational methods, including extra-precision docking, induced-fit docking (IFD), molecular mechanics/generalized Born surface area (MM/GBSA) re-scoring, ChemPLP re-docking, molecular...