Identification of neurological disease targets of natural products by computational screening
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摘要
<正>The development of new drugs is traditionally focused on a single target protein. Only recently has it been recognized that drugs, i.e.,small molecules, usually bind to several target proteins and thus have a wider spectrum of different effects (Konc, 2019). Natural substances are very interesting in this respect, as more than 32%
引文
Abdulla A,Zhao X,Yang F(2013)Natural polyphenols inhibit lysine-specific demethylase-1 in vitro.J Biochem Pharmacol Res 1:56-63.
Abusnina A,Keravis T,Zhou Q,Justiniano H,Lobstein A,Lugnier C(2015)Tumour growth inhibition and anti-angiogenic effects using curcumin correspond to combined PDE2 and PDE4 inhibition.Thromb Haemost114:319-328.
Ambrosio S,Majello B(2018)Targeting histone demethylase LSD1/KDM1a in neurodegenerative diseases.J Exp Neurosci 12:1-3.
Baran PS(2018)Natural product total synthesis:as exciting as ever and here to stay.J Am Chem Soc 140:4751-4755.
Furlan V,Konc J,Bren U(2018)Inverse molecular docking as a novel approach to study anticarcinogenic and anti-neuroinflammatory effects of curcumin.Molecules 23:3351.
Konc J(2019)Binding site comparisons for target-centered drug discovery.Expert Opin Drug Discovery 14:445-454.
Konc J,Jane?i?D(2017)ProBiS tools(algorithm,database,and web servers)for predicting and modeling of biologically interesting proteins.Prog Biophys Mol Biol 128:24-32.
Kores K,Le?nik S,Bren U,Jane?i?D,Konc J(2019)Discovery of novel potential human targets of resveratrol by inverse molecular docking.JChem Inf Model 59:2467-2478.
Mishra S,Palanivelu K(2008)The effect of curcumin(turmeric)on Alzheimer’s disease:An overview.Ann Indian Acad Neurol 11:13-19.
Navarro G,Martínez-Pinilla E,Sánchez-Melgar A,Ortiz R,NoéV,Martín M,Ciudad C,Franco R(2017)A genomics approach identifies selective effects of trans-resveratrol in cerebral cortex neuron and glia gene expression.PLoS One 12:e0176067.
Ramírez S,Gómez-Valadés AG,Schneeberger M,Varela L,Haddad-Tóvolli R,Altirriba J,Noguera E,Drougard A,Flores-Martínez A,Imbernón M,Chivite I,Pozo M,Vidal-Itriago A,Garcia A,Cervantes S,Gasa R,Nogueiras R,Gama-Pérez P,Garcia-Roves PM,Cano DA,et al.(2017)Mitochondrial dynamics mediated by mitofusin 1 is required for POMCneuron glucose-sensing and insulin release control.Cell Metab 25:1390-1399.
Yang SY,He XY,Isaacs C,Dobkin C,Miller D,Philipp M(2014)Roles of17β-hydroxysteroid dehydrogenase type 10 in neurodegenerative disorders.J Steroid Biochem Mol Biol 143:460-472.
Abusnina A,Keravis T,Zhou Q,Justiniano H,Lobstein A,Lugnier C(2015)Tumour growth inhibition and anti-angiogenic effects using curcumin correspond to combined PDE2 and PDE4 inhibition.Thromb Haemost114:319-328.
Ambrosio S,Majello B(2018)Targeting histone demethylase LSD1/KDM1a in neurodegenerative diseases.J Exp Neurosci 12:1-3.
Baran PS(2018)Natural product total synthesis:as exciting as ever and here to stay.J Am Chem Soc 140:4751-4755.
Furlan V,Konc J,Bren U(2018)Inverse molecular docking as a novel approach to study anticarcinogenic and anti-neuroinflammatory effects of curcumin.Molecules 23:3351.
Konc J(2019)Binding site comparisons for target-centered drug discovery.Expert Opin Drug Discovery 14:445-454.
Konc J,Jane?i?D(2017)ProBiS tools(algorithm,database,and web servers)for predicting and modeling of biologically interesting proteins.Prog Biophys Mol Biol 128:24-32.
Kores K,Le?nik S,Bren U,Jane?i?D,Konc J(2019)Discovery of novel potential human targets of resveratrol by inverse molecular docking.JChem Inf Model 59:2467-2478.
Mishra S,Palanivelu K(2008)The effect of curcumin(turmeric)on Alzheimer’s disease:An overview.Ann Indian Acad Neurol 11:13-19.
Navarro G,Martínez-Pinilla E,Sánchez-Melgar A,Ortiz R,NoéV,Martín M,Ciudad C,Franco R(2017)A genomics approach identifies selective effects of trans-resveratrol in cerebral cortex neuron and glia gene expression.PLoS One 12:e0176067.
Ramírez S,Gómez-Valadés AG,Schneeberger M,Varela L,Haddad-Tóvolli R,Altirriba J,Noguera E,Drougard A,Flores-Martínez A,Imbernón M,Chivite I,Pozo M,Vidal-Itriago A,Garcia A,Cervantes S,Gasa R,Nogueiras R,Gama-Pérez P,Garcia-Roves PM,Cano DA,et al.(2017)Mitochondrial dynamics mediated by mitofusin 1 is required for POMCneuron glucose-sensing and insulin release control.Cell Metab 25:1390-1399.
Yang SY,He XY,Isaacs C,Dobkin C,Miller D,Philipp M(2014)Roles of17β-hydroxysteroid dehydrogenase type 10 in neurodegenerative disorders.J Steroid Biochem Mol Biol 143:460-472.