2D, Two-dimentional; 3D, Three-dimentional; AD, Alzheimer's disease; ADMET, Absorption, distribution, metabolism, excretion, and toxicity; ASP, Astex statistical potential; Aß, Amyloid beta; BBB, Blood-brain barrier; CGMC, Cyclin-dependent kinases, mitogen-activated protein kinases, glycogen synthase kinases, and Cdk-like kinases; Cdk5, Cyclin-dependent kinase 5; Cdk5/p25 inhibitors; Cdks, Cyclin-dependent kinases; DS, Discovery Studio; EF, Enrichment factor; GA, Genetic algorithm; GFA, Genetic Function Approximation; GH, Guner-Henry; GOLD, Genetic optimization of ligand docking; GROMACS, Groningen Machine for Chemical Simulation; H-bond, Hydrogen bond; HBA, Hydrogen bond acceptor; HBD, Hydrogen bond donor; HD, Hungtington's disease; HYP, Hydrophobic; IBS, InterBioScreen; K, kelvin; MD, Molecular dynamics; MPTP, 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine; Molecular docking; Molecular dynamics simulation; NPT, Number particle, pressure, and temperature; NVT, Number of particles, volume, and temperature; P5, A 24-residues mimetic peptide of p35; PD, Parkinson's disease; PDB, Protein databank; PLP, Piecewise linear potential; PME, Particle mesh ewald; RMSD, Root mean square deviation; ROF, Rule of five; Structure-based pharmacophore modeling; TAT, Twin-arginine targeting; TIP3P, Transferable intermolecular potential with 3 points; Tau-pathogenesis; ZNPD, Zinc Natural Product Database