Identification of novel inhibitors for TNFα, TNFR1 and TNFα-TNFR1 complex using pharmacophore-based approaches

[21] Hudish T(2010)A BOILED-egg to predict gastrointestinal absorption and brain penetration of small molecules Curr Dir Autoimmun 11 1-1262

[22] Prada J(1996)Cellular mechanisms of TNF function in models of inflammation and autoimmunity Structure. 4 1251-1111

[23] Noelle B(2017)Structures of the extracellular domain of the type I tumor necrosis factor receptor J Chem Inf Model 57 1101-46

[24] Baatz H(2017)Discovery of novel ligands for TNF-alpha and TNF receptor-1 through structure-based virtual screening and biological assay Sci Rep 7 45211-29

[25] Hartmann C(2008)Novel 1,4-dihydropyridines for L-type calcium channel as antagonists for cadmium toxicity Curr Med Chem 15 37-2106

[26] Pleyer U(2008)Virtual screening and its integration with modern drug design technologies Drug Discov Today 13 23-512

[27] Theodossiadis PG(2012)Molecule-pharmacophore superpositioning and pattern matching in computational drug design J Chem Inf Model 52 2098-461

[28] Markomichelakis NN(2009)Biophysical limits of protein-ligand binding Comp Biochem Physiol A 152 504-450

[29] Sfikakis PP(2010)More efficient mastication allows increasing intake without compromising digestibility or necessitating a larger gut: comparative feeding trials in banteng (Bos javanicus) and pygmy hippopotamus (Hexaprotodon liberiensis) J Comput Chem 31 455-60

[30] Berger S(2010)AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading Drug Discov Today 15 444-651

[21] Hudish T(2010)A BOILED-egg to predict gastrointestinal absorption and brain penetration of small molecules Curr Dir Autoimmun 11 1-1262

[22] Prada J(1996)Cellular mechanisms of TNF function in models of inflammation and autoimmunity Structure. 4 1251-1111

[23] Noelle B(2017)Structures of the extracellular domain of the type I tumor necrosis factor receptor J Chem Inf Model 57 1101-46

[24] Baatz H(2017)Discovery of novel ligands for TNF-alpha and TNF receptor-1 through structure-based virtual screening and biological assay Sci Rep 7 45211-29

[25] Hartmann C(2008)Novel 1,4-dihydropyridines for L-type calcium channel as antagonists for cadmium toxicity Curr Med Chem 15 37-2106

[26] Pleyer U(2008)Virtual screening and its integration with modern drug design technologies Drug Discov Today 13 23-512

[27] Theodossiadis PG(2012)Molecule-pharmacophore superpositioning and pattern matching in computational drug design J Chem Inf Model 52 2098-461

[28] Markomichelakis NN(2009)Biophysical limits of protein-ligand binding Comp Biochem Physiol A 152 504-450

[29] Sfikakis PP(2010)More efficient mastication allows increasing intake without compromising digestibility or necessitating a larger gut: comparative feeding trials in banteng (Bos javanicus) and pygmy hippopotamus (Hexaprotodon liberiensis) J Comput Chem 31 455-60

[30] Berger S(2010)AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading Drug Discov Today 15 444-651