title: Current and novel therapeutic molecules and targets in Alzheimer's disease.
abstract: Alzheimer's disease (AD) is a neurodegenerative disorder in which the death of brain cells causes memory loss and cognitive decline, i.e., dementia. The disease starts with mild symptoms and gradually becomes severe. AD is one of the leading causes of mortality worldwide. Several different hallmarks of the disease have been reported such as deposits of β-amyloid around neurons, hyperphosphorylated tau protein, oxidative stress, dyshomeostasis of bio-metals, low levels of acetylcholine, etc. AD is not simple to diagnose since there is no single diagnostic test for it. Pharmacotherapy for AD currently provides only symptomatic relief and mostly targets cognitive revival. Computational biology approaches have proved to be reliable tools for the selection of novel targets and therapeutic ligands. Molecular docking is a key tool in computer-assisted drug design and development. Docking has been utilized to perform virtual screening on large libraries of compounds, and propose structural hypotheses of how the ligands bind with the target with lead optimization. Another potential application of docking is optimization stages of the drug-discovery cycle. This review summarizes the known drug targets of AD, in vivo active agents against AD, state-of-the-art docking studies done in AD, and future prospects of the docking with particular emphasis on AD.
authors.affiliation: Department of Biotechnology, National Institute of Technology, Raipur, Chhattisgarh, India.
authors.forename: Ashwini
authors.initials: A
authors.lastname: Kumar
authors.affiliation: Department of Biotechnology, National Institute of Technology, Raipur, Chhattisgarh, India.
authors.forename: Chaluveelaveedu Murleedharan
authors.initials: CM
authors.lastname: Nisha
authors.affiliation: Department of Biotechnology, National Institute of Technology, Raipur, Chhattisgarh, India.
authors.forename: Chitrangda
authors.initials: C
authors.lastname: Silakari
authors.affiliation: Department of Biotechnology, National Institute of Technology, Raipur, Chhattisgarh, India.
authors.forename: Isha
authors.initials: I
authors.lastname: Sharma
authors.affiliation: Department of Biotechnology, National Institute of Technology, Raipur, Chhattisgarh, India.
authors.forename: Kanukanti
authors.initials: K
authors.lastname: Anusha
authors.affiliation: Department of Biotechnology, National Institute of Technology, Raipur, Chhattisgarh, India.
authors.forename: Nityasha
authors.initials: N
authors.lastname: Gupta
authors.affiliation: Department of Biotechnology, National Institute of Technology, Raipur, Chhattisgarh, India.
authors.forename: Prateek
authors.initials: P
authors.lastname: Nair
authors.affiliation: Molecular and Structural Biophysics Laboratory, Department of Biochemistry, North-Eastern Hill University, Shillong, India.
authors.forename: Timir
authors.initials: T
authors.lastname: Tripathi
authors.affiliation: Department of Biotechnology, National Institute of Technology, Raipur, Chhattisgarh, India. Electronic address: drawanishkr@gmail.com.
authors.forename: Awanish
authors.initials: A
authors.lastname: Kumar
mesh_terms: D000544:Alzheimer Disease / Q000175:diagnosis* / Q000188:drug therapy*; D001921:Brain / Q000503:physiopathology; D015195:Drug Design; D006801:Humans; D062105:Molecular Docking Simulation
keywords: Alzheimer's disease; drug targets; inhibitors; molecular docking; therapy