Enzyme Models—From Catalysis to Prodrugs

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dc.contributor.authorBreijyeh, Zeinab
dc.contributor.authorKaraman, Rafik
dc.date.accessioned2021-06-02T07:07:48Z
dc.date.available2021-06-02T07:07:48Z
dc.date.issued2021-05-28
dc.description.abstractEnzymes are highly specific biological catalysts that accelerate the rate of chemical reac-tions within the cell. Our knowledge of how enzymes work remains incomplete. Computationalmethodologies such as molecular mechanics (MM) and quantum mechanical (QM) methods play animportant role in elucidating the detailed mechanisms of enzymatic reactions where experimentalresearch measurements are not possible. Theories invoked by a variety of scientists indicate thatenzymes work as structural scaffolds that serve to bring together and orient the reactants so that thereaction can proceed with minimum energy. Enzyme models can be utilized for mimicking enzymecatalysis and the development of novel prodrugs. Prodrugs are used to enhance the pharmacokineticsof drugs; classical prodrug approaches focus on alternating the physicochemical properties, whilechemical modern approaches are based on the knowledge gained from the chemistry of enzymemodels and correlations between experimental and calculated rate values of intramolecular processes(enzyme models). A large number of prodrugs have been designed and developed to improve theeffectiveness and pharmacokinetics of commonly used drugs, such as anti-Parkinson (dopamine), an-tiviral (acyclovir), antimalarial (atovaquone), anticancer (azanucleosides), antifibrinolytic (tranexamicacid), antihyperlipidemia (statins), vasoconstrictors (phenylephrine), antihypertension (atenolol),antibacterial agents (amoxicillin, cephalexin, and cefuroxime axetil), paracetamol, and guaifenesin.This article describes the works done on enzyme models and the computational methods used tounderstand enzyme catalysis and to help in the development of efficient prodrugs.en_US
dc.identifier.issn1420-3049
dc.identifier.urihttps://dspace.alquds.edu/handle/20.500.12213/6377
dc.language.isoenen_US
dc.subjectenzymesen_US
dc.subjectcomputational methodsen_US
dc.subjectcatalytic modelsen_US
dc.subjectintramolecularityen_US
dc.subjectproton transferreactionsen_US
dc.subjectprodrug approachen_US
dc.titleEnzyme Models—From Catalysis to Prodrugsen_US
dc.typeArticleen_US
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