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 …
with the emphasis on the modern approaches to prodrug design. The chemical approach …
Targeted prodrugs in oral drug delivery: the modern molecular biopharmaceutical approach
Introduction: The molecular revolution greatly impacted the field of drug design and delivery
in general, and the utilization of the prodrug approach in particular. The increasing …
in general, and the utilization of the prodrug approach in particular. The increasing …
Multiple QSAR and molecular modelling for identification of potent human adenovirus inhibitors
SN Mali, A Pandey - Journal of the Indian Chemical Society, 2021 - Elsevier
This study has investigated docking-based 2D-and 3D-quantitative structure-activity
relationships (QSARs) for a range of 53 hydroxybenzamide analogues as anti-Human …
relationships (QSARs) for a range of 53 hydroxybenzamide analogues as anti-Human …
Computer-assisted design for paracetamol masking bitter taste prodrugs
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 …
group. Hence, it is expected that blocking the hydroxy group with a suitable linker could …
The future of prodrugs–design by quantum mechanics methods
R Karaman, B Fattash, A Qtait - Expert opinion on drug delivery, 2013 - Taylor & Francis
Introduction: The revolution in computational chemistry greatly impacted the drug design
and delivery fields, in general, and recently the utilization of the prodrug approach in …
and delivery fields, in general, and recently the utilization of the prodrug approach in …
Computational‐Aided Design for Dopamine Prodrugs Based on Novel Chemical Approach
R Karaman - Chemical biology & drug design, 2011 - Wiley Online Library
The goal of this project was to design novel dopamine prodrugs for the treatment of
Parkinson's disease that can improve the overall biopharmaceutical profile of the current …
Parkinson's disease that can improve the overall biopharmaceutical profile of the current …
Prodrugs of acyclovir–a computational approach
Density functional theory calculation results demonstrated that the efficiency of the acid‐
catalyzed hydrolysis of Kirby's acid amides 1–15 is strongly dependent on the substitution …
catalyzed hydrolysis of Kirby's acid amides 1–15 is strongly dependent on the substitution …
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 …
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 …
(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
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 …
derivatives it is believed that increasing the lipophilicity of the drug will lead to an increase in …