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Literature summary for 1.5.1.3 extracted from

  • Adane, L.; Patel, D.S.; Bharatam, P.V.
    Shape- and chemical feature-based 3D-pharmacophore model generation and virtual screening: identification of potential leads for P. falciparum DHFR enzyme inhibition (2009), Chem. Biol. Drug Des., 75, 115-126.
    View publication on PubMed
Search for more literature for 1.5.1.3

Protein Variants

Protein Variants Comment Organism
A16V point mutation of the active site residue leads to a widespread resistance of the parasite to the drugs cycloguanil and pyrimethamine Plasmodium falciparum
C59R point mutation of the active site residue leads to a widespread resistance of the parasite to the drugs cycloguanil and pyrimethamine Plasmodium falciparum
I164X point mutation of the active site residue leads to a widespread resistance of the parasite to the drugs cycloguanil and pyrimethamine Plasmodium falciparum
N51I point mutation of the active site residue leads to a widespread resistance of the parasite to the drugs cycloguanil and pyrimethamine Plasmodium falciparum
S108N point mutation of the active site residue leads to a widespread resistance of the parasite to the drugs cycloguanil and pyrimethamine Plasmodium falciparum
S108T point mutation of the active site residue leads to a widespread resistance of the parasite to the drugs cycloguanil and pyrimethamine Plasmodium falciparum

Inhibitors

Inhibitors Comment Organism Structure
Chloroquine
-
 Plasmodium falciparum
cycloguanil an antifolate enzyme inhibitor used in treatment of malaria Plasmodium falciparum
additional information design and development of enzyme inhibitors based on on the bioactive conformation of WR99210 extracted from the X-ray crystal structure of quadruple mutant parasite DHFR enzyme, virtual screening and molecular docking, overview Plasmodium falciparum
NCI0086195 docking analysis, overview Plasmodium falciparum
NCI0109835 docking analysis, overview Plasmodium falciparum
NCI0156252 docking analysis, overview Plasmodium falciparum
NCI0164641 docking analysis, overview Plasmodium falciparum
NCI0211175 docking analysis, overview Plasmodium falciparum
NCI0289533 docking analysis, overview Plasmodium falciparum
NCI0289541 docking analysis, overview Plasmodium falciparum
NCI0309401 docking analysis, overview Plasmodium falciparum
NCI0369769 docking analysis, overview Plasmodium falciparum
NCI0696662 docking analysis, overview Plasmodium falciparum
pyrimethamine an antifolate enzyme inhibitor used in treatment of malaria Plasmodium falciparum
WR99210 docking analysis, overview Plasmodium falciparum

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
7,8-dihydrofolate + NADPH + H+ Plasmodium falciparum
-
 5,6,7,8-tetrahydrofolate + NADP+
-
 r

Organism

Organism UniProt Comment Textmining
Plasmodium falciparum
-
-
-

Reaction

Reaction Comment Organism Reaction ID
5,6,7,8-tetrahydrofolate + NADP+ = 7,8-dihydrofolate + NADPH + H+ Ala16, Ile51, Cys59, Ser108 and Ile164 are active site residues Plasmodium falciparum
a

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
7,8-dihydrofolate + NADPH + H+
-
 Plasmodium falciparum 5,6,7,8-tetrahydrofolate + NADP+
-
 r

Synonyms

Synonyms Comment Organism
DHFR
-
 Plasmodium falciparum

Cofactor

Cofactor Comment Organism Structure
NADP+
-
 Plasmodium falciparum
NADPH
-
 Plasmodium falciparum