In-vitro and In-Silico Cholinesterase Inhibitory Activity of Bioactive Molecules Isolated from the Leaves of Andrographis Nallamalayana J.L. Ellis and Roots of Andrographis Beddomei C.B. Clarke

•Andrographis paniculata, Andrographis nallamalayana, and Andrographis beddomei act as anti-cholinesterases.•Eleven flavonoids and their glycosides were isolated from the Andrographis nallamalayana and Andrographis beddomei.•The SC-XRD and Hirshfeld surface analysis of eight flavonoids and galantamine hydrobromide is reported for the first time.•Compound ANM-6, ANM-4, ABMR-2, ABMR-1 were potent inhibitors of acetylcholinesterase enzyme.•Docking study and molecular dynamics were performed on the most active compounds.