Quantitative structure-activity relationship study of some 7-substituted theophyllines

Date

1998-01-01

Author

Türker, Burhan Lemi
Akgun, H
Balkan, A

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

153
views

0
downloads

Some novel 7-substituted theophylline derivatives have been investigated for quantitative structure-activity relationship (QSAR). For this purpose, their bronchodilatory activities (in vitro), which were examined by the inhibition of acetylcholine induced contraction in tracheae isolated from guinea pigs, have been correlated with various quantum chemical and physicochemical parameters.

Subject Keywords

Aminophylline, Quantitative structure-activity relationships, Theophylline

URI

https://hdl.handle.net/11511/62860

Journal

ARZNEIMITTEL-FORSCHUNG-DRUG RESEARCH

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

Structural studies of polythiophenes Kilic, GB; Toppare, Levent Kamil; Yurtsever, E (1996-03-15) A theoretical investigation of the electronic structures of the oligomers of thiophene (T) and their derivatives, namely, 2-methylthiophene (2MT), 3-methylthiophene (3MT), 2-cyanothiophene (2CT) and 3-cyanothiophene (3CT), are presented. The most stable forms of the monomer, dimer, trimer and tetramers are obtained by the semi-empirical quantum mechanical methodology using AM1 parametrization. All possible binding sites are investigated in order to understand the bonding in polythiophenes. The 3-substituted...
COMPUTATIONAL STUDIES ON NOVEL ENERGETIC MATERIALS: TETRANITRO-[2,2]PARACYCLOPHANES Tuerker, Lemi; Atalar, Taner; Guemues, Selcuk (Informa UK Limited, 2009-01-01) Computational studies on tetranitro derivatives of [2,2]paracyclophane are carried out at B3LYP/6-31G(d,p) level of theory. Optimized geometries, electronic structures and some thermodynamic properties have been obtained in their ground states. Also, detonation performances were evaluated by the Kamlet-Jacobs equations, based on the quantum-chemical calculated densities and heat of formation values. Aromaticities were investigated by performing NICS (nucleus independent chemical shift) calculations using th...
Analyzing the determinants of R&D, its impact on productivity and efficiency of firms in the Turkish Manufacturing Industry Kalaycı, Elif; Pamukcu, Mehmet Teoman; Department of Science and Technology Policy Studies (2012) This dissertation consists of three papers revolving around economics of R&D. The first paper analyzes the determinants of R&D expenditures with specific focus on foreign ownership and spillovers; the second paper studies the impact of R&D on productivity and the third paper analyzes whether conducting R&D enables Turkish manufacturing firms to catch up with sector leaders as far as their productivity levels are concerned. The first contribution of the thesis is the use of newly available data from Turkish ...
Recent progress in asymmetric synthesis of aziridine derivatives (microreview) Doğan, Özdemir (Springer Science and Business Media LLC, 2018-04-01) This microreview describes recent advances in asymmetric synthesis of aziridine derivatives, which have been published over the last two years.
Improving reinforcement learning by using sequence trees Girgin, Sertan; Polat, Faruk; Alhajj, Reda (Springer Science and Business Media LLC, 2010-12-01) This paper proposes a novel approach to discover options in the form of stochastic conditionally terminating sequences; it shows how such sequences can be integrated into the reinforcement learning framework to improve the learning performance. The method utilizes stored histories of possible optimal policies and constructs a specialized tree structure during the learning process. The constructed tree facilitates the process of identifying frequently used action sequences together with states that are visit...

Citation Formats

B. L. Türker, H. Akgun, and A. Balkan, “Quantitative structure-activity relationship study of some 7-substituted theophyllines,” ARZNEIMITTEL-FORSCHUNG-DRUG RESEARCH, pp. 39–42, 1998, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62860.