(Q46842278)

25 December 2017

title

Identification of productive inhibitor binding orientation in fatty acid amide hydrolase (FAAH) by QM/MM mechanistic modelling (English)

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Marco Mor

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Silvia Rivara

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Adrian J Mulholland

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Adrian J Mulholland

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Giorgio Tarzia

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Giorgio Tarzia

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author name string

Christo Christov

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Daniele Piomelli

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language of work or name

English

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publication date

19 October 2007

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25 December 2017

published in

Chemical Communications

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issue

2

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page(s)

214-216

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25 December 2017

Modulation of anxiety through blockade of anandamide hydrolysis

cites work

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The molecular logic of endocannabinoid signalling

21 January 2018

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Evidence for distinct roles in catalysis for residues of the serine-serine-lysine catalytic triad of fatty acid amide hydrolase

21 January 2018

1 reference

QM/MM modelling of oleamide hydrolysis in fatty acid amide hydrolase (FAAH) reveals a new mechanism of nucleophile activation.

21 January 2018

1 reference

Elucidation of hydrolysis mechanisms for fatty acid amide hydrolase and its Lys142Ala variant via QM/MM simulations

21 January 2018

1 reference

Conformational effects in enzyme catalysis: reaction via a high energy conformation in fatty acid amide hydrolase

21 January 2018

1 reference

Pharmacological profile of the selective FAAH inhibitor KDS-4103 (URB597).

21 January 2018

1 reference

Mechanism of carbamate inactivation of FAAH: implications for the design of covalent inhibitors and in vivo functional probes for enzymes

21 January 2018

1 reference

Structural adaptations in a membrane enzyme that terminates endocannabinoid signaling

21 January 2018

1 reference

Cyclohexylcarbamic acid 3'- or 4'-substituted biphenyl-3-yl esters as fatty acid amide hydrolase inhibitors: synthesis, quantitative structure-activity relationships, and molecular modeling studies

21 January 2018

1 reference

Tandem mass spectrometric data-FAAH inhibitory activity relationships of some carbamic acid O-aryl esters

21 January 2018

1 reference

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin

21 January 2018

1 reference

Modelling enzyme reaction mechanisms, specificity and catalysis.

21 January 2018

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Design, synthesis, and structure-activity relationships of alkylcarbamic acid aryl esters, a new class of fatty acid amide hydrolase inhibitors.

21 January 2018

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21 January 2018

Identifiers

DOI

10.1039/B714136J

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25 December 2017

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25 December 2017