Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

In silico screening against wild-type and mutant Plasmodium falciparum dihydrofolate reductase.

Journal of molecular graphics & modelling - 1 Apr 2008

Fogel Gary B, Cheung Mars, Pittman Eric, Hecht David

Abstract excerpt

Modeling studies were performed on known inhibitors of wild-type as well as quadruple mutant Plasmodium falciparum dihydrofolate reductase (DHFR). GOLD was used to dock 31 pyrimethamine derivatives into the active site of DHFR obtained from the X-ray crystal structures 1J3I.pdb and 1J3K.pdb. Predicted binding affinities from a scoring function were analyzed and evaluated in order to develop criteria for selecting...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Antimalarials
Share to Drug Design
Share to Folic Acid Antagonists

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Molecular Structure

Share to Plasmodium falciparum

Share to Pyrimethamine

Share to Small Molecule Libraries

Share to Tetrahydrofolate Dehydrogenase

Source

Identifiers

PMID: 18037315
DOI: 10.1016/j.jmgm.2007.10.006

Genes

DHFR

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

In silico screening against wild-type and mutant Plasmodium falciparum dihydrofolate reductase.PMID 18037315Read ↗

Modeling the inhibition of quadruple mutant Plasmodium falciparum dihydrofolate reductase by pyrimethamine derivatives.Semantic proximity Read ↗

Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors.Semantic proximity Read ↗

Identification of the optimal third generation antifolate against P. falciparum and P. vivax.Semantic proximity Read ↗

Exploiting Structural Analysis, <i>in Silico</i> Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum MalariaSemantic proximity Read ↗

Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised targetSemantic proximity Read ↗

Identification of novel Plasmodium falciparum dihydroorotate dehydrogenase inhibitors for malaria using in silico studiesSemantic proximity Read ↗

Driving antimalarial design through understanding of target mechanism.Semantic proximity Read ↗

Resistance to antifolates in Plasmodium falciparum, the causative agent of tropical malaria.Semantic proximity Read ↗

In silico drug discovery: Unveiling potential targets in Plasmodium falciparumSemantic proximity Read ↗

Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.Semantic proximity Read ↗

The Use of AlphaFold for In Silico Exploration of Drug Targets in the Parasite Trypanosoma cruziSemantic proximity Read ↗

<em>Plasmodium falciparum</em> Dihydroorotate Dehydrogenase, Fragment-based Drug Design, 2D-QSAR, DFT Calculation, Lead Optimization, Induced Fit DockingSemantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.