Molecular Determinants of MAO Selectivity in a Series of Indolylmethylamine Derivatives: Biological Activities, 3D-QSAR/CoMFA Analysis, and Computational Simulation of Ligand Recognition

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

1991 • 14,222 citations

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

1985 • 12,977 citations

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1995 • 12,826 citations

Relationship between the inhibition constant (KI) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

1973 • 12,522 citations

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

1981 • 8,267 citations

Chronic Parkinsonism in Humans Due to a Product of Meperidine-Analog Synthesis

1983 • 4,822 citations

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

1988 • 3,852 citations

An approach to computing electrostatic charges for molecules

1984 • 3,231 citations

Aromatic-Aromatic Interaction: A Mechanism of Protein Structure Stabilization

1985 • 2,441 citations

Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes

1982 • 2,364 citations

Some observations upon a new inhibitor of monoamine oxidase in brain tissue

1968 • 1,589 citations

Synthesis of Fluoropolymers in Supercritical Carbon Dioxide

1992 • 834 citations

PURIFICATION OF AMINE OXIDASE FROM BEEF PLASMA

1954 • 728 citations

cDNA cloning of human liver monoamine oxidase A and B: molecular basis of differences in enzymatic properties.

1988 • 713 citations

Benzene Forms Hydrogen Bonds with Water

1992 • 705 citations

Aromatic rings act as hydrogen bond acceptors

1988 • 685 citations

The Effect of Deprenyl (Selegiline) on the Natural History of Parkinson's Disease

1989 • 621 citations

Multivariate Data Analysis in Chemistry

1984 • 602 citations

The Occurence of C–H · · · O Hydrogen Bonds in Proteins

1995 • 547 citations

Chemometrics, mathematics and statistics in chemistry

1984 • 535 citations

Distinct Monoamine Oxidase A and B Populations in Primate Brain

1985 • 496 citations

Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications

1989 • 439 citations

Computer Simulation of Biomolecular Systems

1997 • 344 citations

Multivariate structure‐activity relationships between data from a battery of biological tests and an ensemble of structure descriptors: The PLS method

1984 • 242 citations

EPITAX: a computer-assisted graphical representation of the bicrystallography of general interfaces

1991 • 235 citations

Oxidation of the neurotoxic amine 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) by monoamine oxidases A and B and suicide inactivation of the enzymes by MPTP

1984 • 199 citations

A role for CH…O interactions in protein-DNA recognition

1998 • 177 citations

C—H⋯O hydrogen bond involving proline residues in α-helices

1998 • 171 citations

Externalization of beta-adrenergic receptors promoted by myocardial ischemia

1985 • 164 citations

Mammalian bombesin receptors

1995 • 159 citations

Concentration dependence of the oxidation of tyramine by the two forms of rat liver mitochondrial monoamine oxidase

1981 • 145 citations

CH/π Interaction in the Packing of the Adenine Ring in Protein Structures

1995 • 133 citations

Selective inhibitors of monoamine oxidase (MAO‐A and MAO‐B) as probes of its catalytic site and mechanism

1995 • 91 citations

A Key Amino Acid Responsible for Substrate Selectivity of Monoamine Oxidase A and B

1997 • 81 citations

Relevance of benzyloxy group in 2‐indolyl methylamines in the selective MAO‐B inhibition

1999 • 74 citations

3D-QSAR: a current perspective

1995 • 70 citations

Inhibition of Monoamine Oxidase-B by 5H-Indeno[1,2-c]pyridazines: Biological Activities, Quantitative Structure-Activity Relationships (QSARs) and 3D-QSARs

1995 • 62 citations

The irreversible inhibition of urokinase, kidney-cell plasminogen activator, plasmin and β-trypsin by 1-(N-6-amino-n-hexyl)carbamoylimidazole

1984 • 42 citations

A comparative study of some kinetic and molecular properties of microsomal and mitochondrial monoamine oxidase

1988 • 25 citations

Perspectives in MAO: past, present, and future

1987 • 22 citations

The effect of side chain substitution at positions 2 and 3 of the heterocyclic ring of N-acetylenic analogues of tryptamine as monoamine oxidase inhibitors

1993 • 21 citations

Biochemical and pharmacological aspects of depression

1990 • 20 citations

Inhibition of MAO by substituted tryptamine analogues

1990 • 17 citations

1-Methyl-3-pyrrolines and 2-methylisoindolines: new classes of cyclic tertiary amine monoamine oxidase B substrates

1998 • 16 citations

Probing the Active Sites of Monoamine Oxidase A and B with 1,4-Disubstituted Tetrahydropyridine Substrates and Inactivators

1997 • 16 citations

Dérivés acétyléniques et alléniques de la 2-(5-méthoxy-indolyl) méthylamine: synthèse et évaluation comme inhibiteurs sélectifs des monoamines oxydases A et B

1990 • 15 citations

Kinetic Studies of N-Allenic Analogues of Tryptamine as Monoamine Oxidase Inhibitors

1996 • 11 citations

Kinetic behaviour of some acetylenic indolalkylamine derivatives and their corresponding parent amines

1994 • 10 citations

Molecular determinants in the bioactivation of the dopaminergic neurotoxin N-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)

1991 • 10 citations

New2-[(5-Methoxy-1-Methylindolyl)]-Alkylamine Derivatives: the Effect of Branching and Elongation of the Side Chain on Mao Inhibition

1998 • 2 citations