Identification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitors.

PubWeight™: 1.00‹?› | Rank: Top 15%

🔗 View Article (PMC 3285636)

Published in PLoS One on February 23, 2012

Authors

Frederick Daidone1, Riccardo Montioli, Alessandro Paiardini, Barbara Cellini, Antonio Macchiarulo, Giorgio Giardina, Francesco Bossa, Carla Borri Voltattorni

Author Affiliations

1: Department of Biochemical Sciences A Rossi Fanelli, University of Rome La Sapienza, Rome, Italy.

Articles citing this

Ligand pose and orientational sampling in molecular docking. PLoS One (2013) 0.99

The Parkinson's disease death rate: carbidopa and vitamin B6. Clin Pharmacol (2014) 0.89

Crystal structure of the S187F variant of human liver alanine: glyoxylate [corrected] aminotransferase associated with primary hyperoxaluria type I and its functional implications. Proteins (2013) 0.88

Structural mimicry between SLA/LP and Rickettsia surface antigens as a driver of autoimmune hepatitis: insights from an in silico study. Theor Biol Med Model (2013) 0.82

Biochemical and computational approaches to improve the clinical treatment of dopa decarboxylase-related diseases: an overview. Open Biochem J (2012) 0.81

Exploration of natural product ingredients as inhibitors of human HMG-CoA reductase through structure-based virtual screening. Drug Des Devel Ther (2015) 0.80

PLP-dependent enzymes. Biomed Res Int (2014) 0.77

Parkinson's disease-associated melanin steal. Neuropsychiatr Dis Treat (2014) 0.76

Parkinson's disease: carbidopa, nausea, and dyskinesia. Clin Pharmacol (2014) 0.76

Parkinson's disease managing reversible neurodegeneration. Neuropsychiatr Dis Treat (2016) 0.75

Interaction of human Dopa decarboxylase with L-Dopa: spectroscopic and kinetic studies as a function of pH. Biomed Res Int (2013) 0.75

Effects of levodopa/carbidopa intestinal gel versus oral levodopa/carbidopa on B vitamin levels and neuropathy. Brain Behav (2017) 0.75

Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies. Front Neurosci (2016) 0.75

Riboflavin Has Neuroprotective Potential: Focus on Parkinson's Disease and Migraine. Front Neurol (2017) 0.75

Levodopa/carbidopa intestinal gel (LCIG) infusion as mono- or combination therapy. J Neural Transm (Vienna) (2017) 0.75

Articles cited by this

AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem (2010) 25.20

ZINC--a free database of commercially available compounds for virtual screening. J Chem Inf Model (2005) 16.75

Drug-like properties and the causes of poor solubility and poor permeability. J Pharmacol Toxicol Methods (2001) 7.08

Virtual computational chemistry laboratory--design and description. J Comput Aided Mol Des (2005) 3.83

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations. J Med Chem (2000) 2.35

Effect of L-dopa on plasma homocysteine in PD patients: relationship to B-vitamin status. Neurology (2003) 2.28

Detailed analysis of scoring functions for virtual screening. J Med Chem (2001) 2.18

Using AutoDock for ligand-receptor docking. Curr Protoc Bioinformatics (2008) 1.94

Virtual screening strategies in drug discovery. Curr Opin Chem Biol (2007) 1.67

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration. J Pharm Sci (1999) 1.55

DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0. Chem Cent J (2008) 1.52

How does consensus scoring work for virtual library screening? An idealized computer experiment. J Chem Inf Comput Sci (2001) 1.45

L-dihydroxyphenylalanine and its decarboxylase: new ideas on their neuroregulatory roles. Mov Disord (1995) 1.43

Structural insight into Parkinson's disease treatment from drug-inhibited DOPA decarboxylase. Nat Struct Biol (2001) 1.35

An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs. J Med Chem (2010) 1.20

Levodopa: past, present, and future. Eur Neurol (2008) 1.18

An investigation of the assay of dopamine using trinitrobenzensulphonic acid. Anal Biochem (1975) 1.14

A spectrophotometric assay for Drosophila dopa decarboxylase. Anal Biochem (1973) 1.12

Spectral properties of the coenzyme bound to DOPA decarboxylase from pig kidney. FEBS Lett (1971) 1.05

Chemical modification of pig kidney 3,4-dihydroxyphenylalanine decarboxylase with diethyl pyrocarbonate. Evidence for an essential histidyl residue. J Biol Chem (1985) 0.97

Mutation of tyrosine 332 to phenylalanine converts dopa decarboxylase into a decarboxylation-dependent oxidative deaminase. J Biol Chem (2002) 0.97

Interaction of aromatic amino acids in D and L forms with 3,4-dihydroxyphenylalanine decarboxylase from pig kidney. Biochemistry (1983) 0.97

Mechanism-based inactivation of dopa decarboxylase by serotonin. J Biol Chem (1996) 0.94

Elevated plasma levels of homocysteine in Parkinson's disease. Eur Neurol (1998) 0.93

Dissociation, unfolding and refolding trials of pig kidney 3,4-dihydroxyphenylalanine (dopa) decarboxylase. Biochem J (1993) 0.92

Reaction specificity of native and nicked 3,4-dihydroxyphenylalanine decarboxylase. J Biol Chem (1999) 0.92

Competitive inhibition of 3, 4-dihydroxyphenylalanine (DOPA) decarboxylase in vitro. J Biol Chem (1955) 0.89

Niacin depletion in Parkinsonian patients treated with L-dopa, benserazide and carbidopa. Clin Sci (Lond) (1979) 0.89

Pyridoxal phosphokinases. II. Effects of inhibitors. J Biol Chem (1961) 0.88

Mutation of cysteine 111 in Dopa decarboxylase leads to active site perturbation. Protein Sci (1997) 0.87

Mutation of residues in the coenzyme binding pocket of Dopa decarboxylase. Effects on catalytic properties. Eur J Biochem (2001) 0.86

Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets. Acta Pharmacol Sin (2009) 0.86

Interaction of L-alpha-methyl-alpha-hydrazino-3,4 dihydroxyphenylpropionic acid with dopa-decarboxylase from pig kidney. FEBS Lett (1977) 0.85

The inverse relationship between the activity of pyridoxal kinase and the level of biogenic amines in rabbit brain. J Neurochem (1968) 0.84

Molecular insights into the pathogenicity of variants associated with the aromatic amino acid decarboxylase deficiency. J Inherit Metab Dis (2011) 0.83

An essential arginine residue at the binding site of pig kidney 3,4-dihydroxyphenylalanine decarboxylase. Arch Biochem Biophys (1985) 0.82

Inhibition in vitro of the enzymes of the oxidative pathway of tryptophan metabolism and of nicotinamide nucleotide synthesis by benserazide, carbidopa and isoniazid. Biochem Pharmacol (1980) 0.82

Sulfate and cysteine levels in the plasma of patients with Parkinson's disease. Neurotoxicology (1995) 0.81

Effects of benserazide, carbidopa and isoniazid administration on tryptophan-nicotinamide nucleotide metabolism in the rat. Biochem Pharmacol (1980) 0.79

Medical treatment of Parkinson's disease: today and the future. Int J Clin Pharmacol Ther (2010) 0.79

Aromatic amino acid methyl ester analogs form quinonoidal species with Dopa decarboxylase. FEBS Lett (1997) 0.79

Pharmacokinetic and metabolic studies of the decarboxylase inhibitor benserazide in animals and man. Arzneimittelforschung (1978) 0.78

The interaction of 2,3,4-trihydroxybenzylhydrazine with DOPA decarboxylase from pig kidney. Life Sci (1981) 0.78

Interaction of N-(DL-seryl)N'-(2,3,4-trihydroxybenzyl)-hydrazine with L-dopa decarboxylase from pig kidney. Experientia (1977) 0.77

Articles by these authors

TGR5-mediated bile acid sensing controls glucose homeostasis. Cell Metab (2009) 6.91

Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nat Biotechnol (2012) 2.58

Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies. J Med Chem (2008) 1.85

Crystal structure and functional analysis of Escherichia coli glutamate decarboxylase. EMBO J (2003) 1.50

Structures of gamma-aminobutyric acid (GABA) aminotransferase, a pyridoxal 5'-phosphate, and [2Fe-2S] cluster-containing enzyme, complexed with gamma-ethynyl-GABA and with the antiepilepsy drug vigabatrin. J Biol Chem (2003) 1.40

Pyridoxal 5'-phosphate enzymes as targets for therapeutic agents. Curr Med Chem (2007) 1.36

Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity. J Med Chem (2009) 1.29

Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. J Med Chem (2007) 1.28

Glucocorticoid-induced leucine zipper inhibits the Raf-extracellular signal-regulated kinase pathway by binding to Raf-1. Mol Cell Biol (2002) 1.26

Novel polymorphisms of nuclear receptor SHP associated with functional and structural changes. J Biol Chem (2010) 1.23

A 3D model of Reelin subrepeat regions predicts Reelin binding to carbohydrates. Brain Res (2006) 1.22

Rapid profiling of disease alleles using a tunable reporter of protein misfolding. Genetics (2012) 1.20

PyMod: sequence similarity searches, multiple sequence-structure alignments, and homology modeling within PyMOL. BMC Bioinformatics (2012) 1.16

Glucocorticoid-induced leucine zipper (GILZ)/NF-kappaB interaction: role of GILZ homo-dimerization and C-terminal domain. Nucleic Acids Res (2006) 1.15

Human wild-type alanine:glyoxylate aminotransferase and its naturally occurring G82E variant: functional properties and physiological implications. Biochem J (2007) 1.14

Structure and mechanism of Escherichia coli pyridoxine 5'-phosphate oxidase. Biochim Biophys Acta (2003) 1.13

Comparative structural analysis of psychrophilic and meso- and thermophilic enzymes. Proteins (2002) 1.13

Escherichia coli acid resistance: pH-sensing, activation by chloride and autoinhibition in GadB. EMBO J (2006) 1.07

Design, synthesis, and microbiological evaluation of new Candida albicans CYP51 inhibitors. J Med Chem (2005) 1.03

Poly(ADP-ribose) catabolism triggers AMP-dependent mitochondrial energy failure. J Biol Chem (2009) 1.03

Spiro[2.2]pentane as a dissymmetric scaffold for conformationally constrained analogues of glutamic acid: focus on racemic 1-aminospiro[2.2]pentyl-1,4-dicarboxylic acids. J Org Chem (2002) 1.01

Molecular defects of the glycine 41 variants of alanine glyoxylate aminotransferase associated with primary hyperoxaluria type I. Proc Natl Acad Sci U S A (2010) 1.00

Human liver peroxisomal alanine:glyoxylate aminotransferase: Different stability under chemical stress of the major allele, the minor allele, and its pathogenic G170R variant. Biochimie (2010) 0.99

Novel ketoconazole analogues based on the replacement of 2,4-dichlorophenyl group with 1,4-benzothiazine moiety: design, synthesis, and microbiological evaluation. Bioorg Med Chem (2006) 0.99

Adamantyl-substituted retinoid-derived molecules that interact with the orphan nuclear receptor small heterodimer partner: effects of replacing the 1-adamantyl or hydroxyl group on inhibition of cancer cell growth, induction of cancer cell apoptosis, and inhibition of SRC homology 2 domain-containing protein tyrosine phosphatase-2 activity. J Med Chem (2008) 0.98

Molecular Insight into the Synergism between the Minor Allele of Human Liver Peroxisomal Alanine:Glyoxylate Aminotransferase and the F152I Mutation. J Biol Chem (2009) 0.98

Evolutionarily conserved regions and hydrophobic contacts at the superfamily level: The case of the fold-type I, pyridoxal-5'-phosphate-dependent enzymes. Protein Sci (2004) 0.98

Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases. Proc Natl Acad Sci U S A (2011) 0.98

In silico and in vitro validation of serine hydroxymethyltransferase as a chemotherapeutic target of the antifolate drug pemetrexed. Eur J Med Chem (2011) 0.97

Glycine consumption and mitochondrial serine hydroxymethyltransferase in cancer cells: the heme connection. Med Hypotheses (2013) 0.96

Treponema denticola cystalysin catalyzes beta-desulfination of L-cysteine sulfinic acid and beta-decarboxylation of L-aspartate and oxalacetate. FEBS Lett (2003) 0.95

Oxime and oxime ether derivatives of 1,4-benzothiazine related to oxiconazole. ChemMedChem (2007) 0.95

Structural adaptation of extreme halophilic proteins through decrease of conserved hydrophobic contact surface. BMC Struct Biol (2011) 0.95

Indoleamine 2,3-dioxygenase 1 (IDO1) is up-regulated in thyroid carcinoma and drives the development of an immunosuppressant tumor microenvironment. J Clin Endocrinol Metab (2014) 0.93

Spectroscopic and kinetic analyses reveal the pyridoxal 5'-phosphate binding mode and the catalytic features of Treponema denticola cystalysin. Biochemistry (2002) 0.93

Genotyping of an Italian papillary thyroid carcinoma cohort revealed high prevalence of BRAF mutations, absence of RAS mutations and allowed the detection of a new mutation of BRAF oncoprotein (BRAF(V599lns)). Clin Endocrinol (Oxf) (2006) 0.93

Time to progression in metastatic breast cancer patients treated with epirubicin is not improved by the addition of either cisplatin or lonidamine: final results of a phase III study with a factorial design. J Clin Oncol (2002) 0.92

Biochemical analyses are instrumental in identifying the impact of mutations on holo and/or apo-forms and on the region(s) of alanine:glyoxylate aminotransferase variants associated with primary hyperoxaluria type I. Mol Genet Metab (2011) 0.92

Synthesis and structure-activity relationships of phosphonic arginine mimetics as inhibitors of the M1 and M17 aminopeptidases from Plasmodium falciparum. J Med Chem (2013) 0.91

Improvement in prediction of solvent accessibility by probability profiles. Protein Eng (2003) 0.90

C-di-GMP hydrolysis by Pseudomonas aeruginosa HD-GYP phosphodiesterases: analysis of the reaction mechanism and novel roles for pGpG. PLoS One (2013) 0.90

PARP inhibitors: polypharmacology versus selective inhibition. FEBS J (2013) 0.90

Gly161 mutations associated with Primary Hyperoxaluria Type I induce the cytosolic aggregation and the intracellular degradation of the apo-form of alanine:glyoxylate aminotransferase. Biochim Biophys Acta (2013) 0.90

Structural adaptation to low temperatures--analysis of the subunit interface of oligomeric psychrophilic enzymes. FEBS J (2007) 0.90

The transcription factor DNR from Pseudomonas aeruginosa specifically requires nitric oxide and haem for the activation of a target promoter in Escherichia coli. Microbiology (2009) 0.89

Investigating the allosteric regulation of YfiN from Pseudomonas aeruginosa: clues from the structure of the catalytic domain. PLoS One (2013) 0.89

Construction, purification and characterization of untagged human liver alanine-glyoxylate aminotransferase expressed in Escherichia coli. Protein Pept Lett (2008) 0.88

Insights into the molecular function of the inactivating mutations of B-Raf involving the DFG motif. Biochim Biophys Acta (2009) 0.88

Crystal structure of the S187F variant of human liver alanine: glyoxylate [corrected] aminotransferase associated with primary hyperoxaluria type I and its functional implications. Proteins (2013) 0.88

Catalytic and thermodynamic properties of tetrahydromethanopterin-dependent serine hydroxymethyltransferase from Methanococcus jannaschii. J Biol Chem (2003) 0.87

Threonine aldolase and alanine racemase: novel examples of convergent evolution in the superfamily of vitamin B6-dependent enzymes. Biochim Biophys Acta (2003) 0.87

Alanine racemase from Tolypocladium inflatum: a key PLP-dependent enzyme in cyclosporin biosynthesis and a model of catalytic promiscuity. Arch Biochem Biophys (2012) 0.87

Rat brain guanosine binding site. Biological studies and pseudo-receptor construction. Bioorg Med Chem (2003) 0.86

Patented TGR5 modulators: a review (2006 - present). Expert Opin Ther Pat (2012) 0.86

Nitrite and nitrite reductases: from molecular mechanisms to significance in human health and disease. Antioxid Redox Signal (2012) 0.86

Structural adaptation of serine hydroxymethyltransferase to low temperatures. Int J Biol Macromol (2009) 0.85

Human liver peroxisomal alanine:glyoxylate aminotransferase: characterization of the two allelic forms and their pathogenic variants. Biochim Biophys Acta (2010) 0.85

Sequence variants in kynurenine aminotransferase II (KAT II) orthologs determine different potencies of the inhibitor S-ESBA. ChemMedChem (2008) 0.85

Contribution of Lys276 to the conformational flexibility of the active site of glutamate decarboxylase from Escherichia coli. Eur J Biochem (2002) 0.85

The mechanism of addition of pyridoxal 5'-phosphate to Escherichia coli apo-serine hydroxymethyltransferase. Biochem J (2007) 0.85

CAMPO, SCR_FIND and CHC_FIND: a suite of web tools for computational structural biology. Nucleic Acids Res (2005) 0.85

Pharmacophore model for bile acids recognition by the FPR receptor. J Comput Aided Mol Des (2006) 0.84

Molecular insights into primary hyperoxaluria type 1 pathogenesis. Front Biosci (Landmark Ed) (2012) 0.84

Dimerization and folding processes of Treponema denticola cystalysin: the role of pyridoxal 5'-phosphate. Biochemistry (2006) 0.84

Probing the role of Tyr 64 of Treponema denticola cystalysin by site-directed mutagenesis and kinetic studies. Biochemistry (2005) 0.83

The N-terminal extension is essential for the formation of the active dimeric structure of liver peroxisomal alanine:glyoxylate aminotransferase. Int J Biochem Cell Biol (2011) 0.83

Towards new neuroprotective agents: design and synthesis of 4H-thieno[2,3-c] isoquinolin-5-one derivatives as potent PARP-1 inhibitors. Farmaco (2003) 0.83

From polypharmacology to target specificity: the case of PARP inhibitors. Curr Top Med Chem (2013) 0.83

Molecular insights into the pathogenicity of variants associated with the aromatic amino acid decarboxylase deficiency. J Inherit Metab Dis (2011) 0.83

Folding pathway of the pyridoxal 5'-phosphate C-S lyase MalY from Escherichia coli. Biochem J (2005) 0.83

Two-pronged attack: dual inhibition of Plasmodium falciparum M1 and M17 metalloaminopeptidases by a novel series of hydroxamic acid-based inhibitors. J Med Chem (2014) 0.83

On the catalytic mechanism and stereospecificity of Escherichia coli L-threonine aldolase. FEBS J (2013) 0.82

Chemogenomics of pyridoxal 5'-phosphate dependent enzymes. J Enzyme Inhib Med Chem (2011) 0.82

Probing the activity of diguanylate cyclases and c-di-GMP phosphodiesterases in real-time by CD spectroscopy. Nucleic Acids Res (2013) 0.82

Crystal structure of Plasmodium falciparum thioredoxin reductase, a validated drug target. Biochem Biophys Res Commun (2012) 0.82

S250F variant associated with aromatic amino acid decarboxylase deficiency: molecular defects and intracellular rescue by pyridoxine. Hum Mol Genet (2013) 0.81

Is antagonism of E/Z-guggulsterone at the farnesoid X receptor mediated by a noncanonical binding site? A molecular modeling study. J Med Chem (2005) 0.81

Mutation of His465 alters the pH-dependent spectroscopic properties of Escherichia coli glutamate decarboxylase and broadens the range of its activity toward more alkaline pH. J Biol Chem (2009) 0.81

Bulky 1,4-benzoxazine derivatives with antifungal activity. Bioorg Med Chem (2009) 0.81