UB Paderborn / Katalog / Suche / in CDI

3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae

Bioorganic & medicinal chemistry, 2015-03, Vol.23 (6), p.1321-1340

2015

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Bivalent Carbamates as Novel Control Agents of the Malaria Mosquito, Anopheles gambiae

Chimia, 2016-10, Vol.70 (10), p.704

2016

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Acetylcholinesterase of the sand fly, Phlebotomus papatasi (Scopoli): construction, expression and biochemical properties of the G119S orthologous mutant

Parasites & vectors, 2014-12, Vol.7 (1), p.577-577, Article 577

2014

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NEUROTOXICOLOGY OF bis(n)-TACRINES ON Blattella germanica AND Drosophila melanogaster ACETYLCHOLINESTERASE

Archives of insect biochemistry and physiology, 2013-08, Vol.83 (4), p.180-194

2013

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Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase

Bioorganic & medicinal chemistry letters, 2015-10, Vol.25 (20), p.4405-4411

2015

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Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae

Insect science, 2018-08, Vol.25 (4), p.721-724

2018

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Toxicology of potassium channel-directed compounds in mosquitoes

Neurotoxicology (Park Forest South), 2017-05, Vol.60, p.214-223

2017

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Biological Studies and Target Engagement of the 2‑C‑Methyl‑d‑Erythritol 4‑Phosphate Cytidylyltransferase (IspD)-Targeting Antimalarial Agent (1R,3S)‑MMV008138 and Analogs

ACS infectious diseases, 2018-04, Vol.4 (4), p.549-559

2018

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Re-engineering aryl methylcarbamates to confer high selectivity for inhibition of Anopheles gambiae versus human acetylcholinesterase

Bioorganic & medicinal chemistry letters, 2012-07, Vol.22 (14), p.4593-4598

2012

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Triazole-linked reduced amide isosteres: An approach for the fragment-based drug discovery of anti-Alzheimer’s BACE1 inhibitors

Bioorganic & medicinal chemistry letters, 2011-07, Vol.21 (13), p.3992-3996

2011

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Inhibitor profile of bis(n)-tacrines and N-methylcarbamates on acetylcholinesterase from Rhipicephalus (Boophilus) microplus and Phlebotomus papatasi

Pesticide biochemistry and physiology, 2013-07, Vol.106 (3), p.85-92

2013

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Towards a species-selective acetylcholinesterase inhibitor to control the mosquito vector of malaria, Anopheles gambiae

Chemico-biological interactions, 2008-09, Vol.175 (1), p.368-375

2008

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Contact area difference (CAD): a robust measure to evaluate accuracy of protein models

Journal of molecular biology, 1997-05, Vol.268 (3), p.678-685

1997

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The use of the magnetic field effect for studying a chemiluminescent chemical reaction in aqueous solution. Reaction rate constants and lifetimes of intermediate molecules

Chemical physics letters, 1993-11, Vol.214 (3), p.315-320

1993

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Phase-on-frequency characteristics of the magnetic field effect for studying the mechanism of the branching chemiluminescent reaction of luminol

Chemical physics letters, 1993-11, Vol.214 (3), p.321-326

1993

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Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes

Molecular & cellular proteomics, 2005-06, Vol.4 (6), p.752-761

2005

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High-throughput docking for lead generation

Current Opinion in Chemical Biology, 2001-08, Vol.5 (4), p.375-382

2001

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Identification of Protein–Protein Interaction Sites from Docking Energy Landscapes

Journal of molecular biology, 2004-01, Vol.335 (3), p.843-865

2004

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ICM-DISCO docking by global energy optimization with fully flexible side-chains

Proteins, structure, function, and bioinformatics, 2003-07, Vol.52 (1), p.113-117

2003

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Conserved structural elements in the V3 crown of HIV-1 gp120

Nature structural & molecular biology, 2010-08, Vol.17 (8), p.955

2010

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Flexible protein-ligand docking by global energy optimization in internal coordinates

Proteins, structure, function, and bioinformatics, 1997, Vol.29 (S1), p.215-220

1997

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Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3

Journal of computer-aided molecular design, 2019-01, Vol.33 (1), p.35-46

2019

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Comparative study of several algorithms for flexible ligand docking

Journal of computer-aided molecular design, 2003-11, Vol.17 (11), p.755-763

2003

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IspH inhibitors kill Gram-negative bacteria and mobilize immune clearance

Nature (London), 2021-01, Vol.589 (7843), p.597-5

2021

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Biased Probability Monte Carlo Conformational Searches and Electrostatic Calculations for Peptides and Proteins

Journal of molecular biology, 1994-01, Vol.235 (3), p.983-1002

1994

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3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae

Bivalent Carbamates as Novel Control Agents of the Malaria Mosquito, Anopheles gambiae

Acetylcholinesterase of the sand fly, Phlebotomus papatasi (Scopoli): construction, expression and biochemical properties of the G119S orthologous mutant

NEUROTOXICOLOGY OF bis(n)-TACRINES ON Blattella germanica AND Drosophila melanogaster ACETYLCHOLINESTERASE

Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase

Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae

Toxicology of potassium channel-directed compounds in mosquitoes

Biological Studies and Target Engagement of the 2‑C‑Methyl‑d‑Erythritol 4‑Phosphate Cytidylyltransferase (IspD)-Targeting Antimalarial Agent (1R,3S)‑MMV008138 and Analogs

Re-engineering aryl methylcarbamates to confer high selectivity for inhibition of Anopheles gambiae versus human acetylcholinesterase

Triazole-linked reduced amide isosteres: An approach for the fragment-based drug discovery of anti-Alzheimer’s BACE1 inhibitors

Inhibitor profile of bis(n)-tacrines and N-methylcarbamates on acetylcholinesterase from Rhipicephalus (Boophilus) microplus and Phlebotomus papatasi

Towards a species-selective acetylcholinesterase inhibitor to control the mosquito vector of malaria, Anopheles gambiae

Contact area difference (CAD): a robust measure to evaluate accuracy of protein models

The use of the magnetic field effect for studying a chemiluminescent chemical reaction in aqueous solution. Reaction rate constants and lifetimes of intermediate molecules

Phase-on-frequency characteristics of the magnetic field effect for studying the mechanism of the branching chemiluminescent reaction of luminol

Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes

High-throughput docking for lead generation

Identification of Protein–Protein Interaction Sites from Docking Energy Landscapes

ICM-DISCO docking by global energy optimization with fully flexible side-chains

Conserved structural elements in the V3 crown of HIV-1 gp120

Flexible protein-ligand docking by global energy optimization in internal coordinates

Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3

Comparative study of several algorithms for flexible ligand docking

IspH inhibitors kill Gram-negative bacteria and mobilize immune clearance

Biased Probability Monte Carlo Conformational Searches and Electrostatic Calculations for Peptides and Proteins

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