Protein crystallography and drug design

Probing the limits of the molecular replacement method: the case of Trypanosoma brucei phosphoglycerate kinase.

Acta crystallographica. Section D, Biological crystallography·2004

Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity.

Chemistry & biology·2002

Glycolysis as a target for the design of new anti-trypanosome drugs.

Drug resistance updates : reviews and commentaries in antimicrobial and anticancer chemotherapy·2001

A mutant cholera toxin B subunit that binds GM1- ganglioside but lacks immunomodulatory or toxic activity.

Proceedings of the National Academy of Sciences of the United States of America·2001

Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design.

Journal of medicinal chemistry·2001

Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors.

Journal of molecular biology·2001

Leave-one-out procedure in the validation of elimination rate constant analysis.

Arzneimittel-Forschung·2012

Pharmacokinetic and myocardial enzyme profiles of two administration routes of epirubicin in breast cancer patients.

Arzneimittel-Forschung·2012

Synthesis, anti-hypertensive effect of a novel angiotensin II AT1 receptor antagonist and its anti-tumor activity in prostate cancer.

Arzneimittel-Forschung·2012

Effect of zeolite nano-materials and artichoke (Cynara scolymus L.) leaf extract on increase in urinary clearance of systematically absorbed nicotine.

Arzneimittel-Forschung·2012

Fluorescence detection of etoposide-loaded nanoparticles by HPLC and pharmacokinetics study.

Arzneimittel-Forschung·2012

Pharmacokinetics and potential advantages of a new oral solution of levothyroxine vs. other available dosage forms.

Arzneimittel-Forschung·2012

Generalizable structure-function covariation predictive of antidepressant response revealed by target-oriented multimodal fusion.

Nature. Mental health·2026

Integrated docking-molecular dynamics, ADME-toxicity profiling, and transcriptomic validation identify oroxylin a as a TLR7-targeting flavonoid candidate in systemic lupus erythematosus.

Frontiers in chemistry·2026

Novel seleno-ureido hybrids targeting head and neck cancer and beyond: design, synthesis, and apoptosis-mediated anticancer evaluation.

RSC advances·2026

Can Large Language Models Translate MS/MS into Molecular Caption?

Analytical chemistry·2026

Synthesis, Characterization, and Biological Evaluation of Co(II), Cu(II), and Ni(II) Complexes With 2,2'-Bipyridine-5,5'-Dicarboxamide Ligands: Antibacterial and Enzyme Inhibition Studies.

ChemistryOpen·2026

Evaluation of deep learning architectures for predicting ligand interactions with neurologically relevant GPCRs.

Journal of cheminformatics·2026

Related Experiment Videos

Protein crystallography and drug design

Related Concept Videos

Probing the limits of the molecular replacement method: the case of Trypanosoma brucei phosphoglycerate kinase.

Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity.

Glycolysis as a target for the design of new anti-trypanosome drugs.

A mutant cholera toxin B subunit that binds GM1- ganglioside but lacks immunomodulatory or toxic activity.

Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design.

Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors.

Leave-one-out procedure in the validation of elimination rate constant analysis.

Pharmacokinetic and myocardial enzyme profiles of two administration routes of epirubicin in breast cancer patients.

Synthesis, anti-hypertensive effect of a novel angiotensin II AT1 receptor antagonist and its anti-tumor activity in prostate cancer.

Effect of zeolite nano-materials and artichoke (Cynara scolymus L.) leaf extract on increase in urinary clearance of systematically absorbed nicotine.

Fluorescence detection of etoposide-loaded nanoparticles by HPLC and pharmacokinetics study.

Pharmacokinetics and potential advantages of a new oral solution of levothyroxine vs. other available dosage forms.

Generalizable structure-function covariation predictive of antidepressant response revealed by target-oriented multimodal fusion.

Integrated docking-molecular dynamics, ADME-toxicity profiling, and transcriptomic validation identify oroxylin a as a TLR7-targeting flavonoid candidate in systemic lupus erythematosus.

Novel seleno-ureido hybrids targeting head and neck cancer and beyond: design, synthesis, and apoptosis-mediated anticancer evaluation.

Can Large Language Models Translate MS/MS into Molecular Caption?

Synthesis, Characterization, and Biological Evaluation of Co(II), Cu(II), and Ni(II) Complexes With 2,2'-Bipyridine-5,5'-Dicarboxamide Ligands: Antibacterial and Enzyme Inhibition Studies.

Evaluation of deep learning architectures for predicting ligand interactions with neurologically relevant GPCRs.

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Protein crystallography and drug design

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