From conventional prodrugs to prodrugs designed by molecular orbital methods
R Karaman - Frontiers in Computational Chemistry, 2015 - Elsevier
In this chapter we attempt to present a novel prodrug approach which is based on enzyme
models that have been advocated to understand the mechanism by which enzymes catalyze …
models that have been advocated to understand the mechanism by which enzymes catalyze …
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 …
Computationally designed enzyme models to replace natural enzymes in prodrug approaches
R Karaman - 2012 - dspace.alquds.edu
The striking efficiency of enzyme catalysis has inspired many organic chemists to explore
enzyme mechanisms by studying certain intra molecular processes such as enzyme models …
enzyme mechanisms by studying certain intra molecular processes such as enzyme models …
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 …
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 …
reactions within the cell. Our knowledge of how enzymes work remains incomplete …
Anticancer prodrugs-three decades of design
The conventional old treatment method for cancer therapy is associated with severe side
effects along with several limitations. Therefore, searching and developing new methods for …
effects along with several limitations. Therefore, searching and developing new methods for …
[PDF][PDF] Prodrugs design by computation methods-a new era
R Karaman - Journal of Drug Designing, 2013 - researchgate.net
Prodrugs, soft drugs, targeted drugs, and metabolites of drugs are common terms that are
used in the pharmaceutical field. The term “prodrug” was first introduced by Albert to signify …
used in the pharmaceutical field. The term “prodrug” was first introduced by Albert to signify …
[PDF][PDF] Computationally designed atovaquone prodrugs based on Bruice's enzyme model
R Karaman, B Fattash, G Mecca… - Current computer-aided …, 2014 - researchgate.net
DFT molecular orbital calculations at B3LYP 6-31G (d, p) and B3LYP/311+ G (d, p) levels
and molecular mechanics (MM2) calculations of kinetic properties for Bruice's systems 1-5 …
and molecular mechanics (MM2) calculations of kinetic properties for Bruice's systems 1-5 …
[PDF][PDF] The future of prodrugs designed by computational chemistry
R Karaman - Drug Des, 2012 - researchgate.net
When knowledge fails to provide answers to important questions such as how to improve the
bioavailability of vital medications,“Imagination is more important than knowledge,” as Albert …
bioavailability of vital medications,“Imagination is more important than knowledge,” as Albert …
Computational simulations to guide enzyme-mediated prodrug activation
M Markovic, S Ben-Shabat, A Dahan - International Journal of Molecular …, 2020 - mdpi.com
Prodrugs are designed to improve pharmaceutical/biopharmaceutical characteristics,
pharmacokinetic/pharmacodynamic properties, site-specificity, and more. A crucial step in …
pharmacokinetic/pharmacodynamic properties, site-specificity, and more. A crucial step in …