Prodrugs Design Based on Inter‐and Intramolecular Chemical Processes

R Karaman - Chemical biology & drug design, 2013 - Wiley Online Library
This review provides the reader a concise overview of the majority of prodrug approaches
with the emphasis on the modern approaches to prodrug design. The chemical approach …

[HTML][HTML] Enzyme Models—From Catalysis to Prodrugs

Z Breijyeh, R Karaman - Molecules, 2021 - mdpi.com
Enzymes are highly specific biological catalysts that accelerate the rate of chemical
reactions within the cell. Our knowledge of how enzymes work remains incomplete …

Computer-assisted design for paracetamol masking bitter taste prodrugs

H Hejaz, R Karaman, M Khamis - Journal of molecular modeling, 2012 - Springer
It is believed that the bitter taste of paracetamol, a pain killer drug, is due to its hydroxyl
group. Hence, it is expected that blocking the hydroxy group with a suitable linker could …

Prodrugs of aza nucleosides based on proton transfer reaction

R Karaman - Journal of computer-aided molecular design, 2010 - Springer
DFT calculation results for intramolecular proton transfer reactions in Kirby's enzyme models
1–7 reveal that the reaction rate is quite responsive to geometric disposition, especially to …

Analyzing the efficiency in intramolecular amide hydrolysis of Kirby's N-alkylmaleamic acids–A computational approach

R Karaman - Computational and Theoretical Chemistry, 2011 - Elsevier
A mechanistic study using DFT calculation methods at B3LYP/6-31G (d, p), B3LYP/311+ G
(d, p) levels and hybrid GGA (MPW1k) on an intramolecular acid catalyzed hydrolysis of …

Computer-assisted design for atenolol prodrugs for the use in aqueous formulations

R Karaman, K Dajani, H Hallak - Journal of molecular modeling, 2012 - Springer
Based on stability studies on the drugs atenolol and propranolol and some of their
derivatives it is believed that increasing the lipophilicity of the drug will lead to an increase in …

Prodrugs for masking the bitter taste of drugs

R Karaman - Application of Nanotechnology in Drug Delivery, 2014 - books.google.com
The palatability of the active ingredient of a drug is a significant obstacle in developing a
patient friendly dosage form. Organoleptic properties, such as taste, are an important factor …

The efficiency of proton transfer in Kirby's enzyme model, a computational approach

R Karaman - Tetrahedron Letters, 2010 - Elsevier
DFT and ab initio calculation results for proton transfer reactions in Kirby's acetals reveal that
the mechanism proceeds via efficient intramolecular general acid catalysis (IGAC) and not …

The gem-disubstituent effect—a computational study that exposes the relevance of existing theoretical models

R Karaman - Tetrahedron Letters, 2009 - Elsevier
The DFT B3LYP/6-31G (d, p) and HF/6-31G calculation results for the cyclization reactions of
six different di-substituted 4-bromobutylamines (Brown's system) reveal that the driving force …

Computer‐Assisted Design of Pro‐drugs for Antimalarial Atovaquone

R Karaman, H Hallak - Chemical biology & drug design, 2010 - Wiley Online Library
Density Functional Theory (DFT) and ab initio calculation results for the proton transfer
reaction in Kirby's enzyme models 1‐6 reveal that the reaction rate is largely dependent on …