Abstract:
:We used quantum mechanics/molecular mechanics calculations to test if antimalarial primaquine (PQ) and its derivatives aid the conversion of hemoglobin to methemoglobin by binding to hemoglobin and merely lowering hemoglobin's ionization potential (IP). Our results showed that PQ and its derivatives do not significantly lower the hemoglobin IP, disproving the hypothesis.
journal_name
Medchemcommjournal_title
MedChemCommauthors
Liu H,Ding Y,Walker LA,Doerksen RJdoi
10.1039/C3MD00045Asubject
Has Abstractpub_date
2013-08-01 00:00:00pages
1145-1147issue
8eissn
2040-2503issn
2040-2511journal_volume
4pub_type
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