Concepedia

Design, synthesis, pharmacological evaluation, QSAR analysis, molecular modeling and ADMET of novel donepezil–indolyl hybrids as multipotent cholinesterase/monoamine oxidase inhibitors for the potential treatment of Alzheimer's disease

Óscar M. Bautista‐Aguilera, Gerard Esteban, Irene Bolea, Katarina Nikolić, Danica Agbaba, Ignacio Moraleda, Isabel Iriepa, Abdelouahid Samadi, Elena Soriano, Mercedes Unzeta,

European Journal of Medicinal Chemistry · 2014 · 141 citations · 38 references

Open access

References

38

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

A new and rapid colorimetric determination of acetylcholinesterase activity

George L. Ellman, K. Diane Courtney, Valentino Andres et al. · Biochemical Pharmacology · 1961 · 26.9K citations

Life Sciences, Biochemistry, Pharmacology +14

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

Natural Sciences, Chemistry, Biomolecular Modeling +13

The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling

Konstantin Arnold, Lorenza Bordoli, Jürgen Kopp et al. · Bioinformatics · 2005 · 7.1K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +12

Abnormal phosphorylation of the microtubule-associated protein tau (tau) in Alzheimer cytoskeletal pathology.

Inge Grundke‐Iqbal, Khurshid Iqbal, Y C Tung et al. · Proceedings of the National Academy of Sciences · 1986 · 3.6K citations · Full text

Life Sciences, Neurobiology, Neuroscience +15