Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes.

Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes. Research Abstract Details 

Research Abstract Table of Contents

Jump to the:

Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes. Abstract Text:

Teruo Kurihara,Rie Satoh,Takashi Miyagawa,Hidetsugu Wakabayashi,Noboru Motohashi,Hiroshi Sakagami,Teruo Kurihara,Rie Satoh,Takashi Miyagawa,Hidetsugu Wakabayashi,Noboru Motohashi,Hiroshi Sakagami,

The relationship between the structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes was investigated based on theoretical calculations. Four different dipole moments (mu(G), mu(ESP-G), mu(W) and mu(ESP-W)) and heats of formation (DeltaH(f)) of the azulenequinones [1-27] and trihaloacetylazulenes [28a,b-40a,b] were separately calculated in gas phase and aqueous solution using the conductor-like screening model/parametric method 3 (COSMO/PM3) method. The cytotoxic activity of azulenequinones was well correlated to DeltaDeltaH(f) HOMO energy and mu(ESP-w). The cytotoxic activity of trihaloacetylazulenes was correlated to DeltaDeltaH(f) LUMO energy and mu(ESP-W). QSAR may be applicable to predict the cytotoxicity of azulenequinones and trihaloacetylazulenes.

Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes. Publishing Authors By Initials

T Kurihara,R Satoh,T Miyagawa,H Wakabayashi,N Motohashi,H Sakagami,T Kurihara,R Satoh,T Miyagawa,H Wakabayashi,N Motohashi,H Sakagami,

For similar abstracts research abstracts see: abstracts research

PUBMED ID PMID:

MEDLINE DATE:

Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: In vivo (Athens, Greece)

VOLUME: 21

Page Numbers: 715-20

Journal Abbreviation: In Vivo

ISSN: 0258-851X

DAY: 16

MONTH: 11

YEAR: 2007

Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 8806809

Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes. Keywords Mesh Terms:

KEYWORDS:

MESH TERMS:

Chemical & Substance for Abstract: Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes. Information

Substance Name:

Registry Number:

Grant and Affiliation Information for Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes.

AFFILIATION: Department of Chemistry, Faculty of Science, Josai University, Sakado, Saitama, Japan. tkuri@josai.ac.jp

Country: Greece

AGENCY:

GRANT:

ACRONYM:

MEDLINETA: In Vivo

REFSOURCE:

DATABASENAME:

ACCESSION NUMBER:

Number Hits: 0

Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes Related Publications

• A simple and effective method for hemolysis with a hypoxanthine-xanthine oxidase system and alteration of erythrocyte phospholipid composition during the hemolysis.
• Acid labile ComX pheromone from Bacillus mojavensis RO-H-1.
• Biological activity of 3-formylchromones and related compounds.
• Chondrosarcoma of the temporal bone.
• Compositions of diacyl-, alkenyl-acyl-, and alkyl-acyl-glycerylphosphorylcholine and -ethanolamine in male and female rabbit hearts.
• Distribution and metabolism of two sphingomyelins in rat tissues.
• Earth-to-space laser beam transmission for spacecraft attitude measurement.
• Effect of prostaglandin E1 and polyphloretin phosphate on hemolysis of human erythrocytes.
• Exchange of phospholipids between mitochondria and rough or smooth microsomes in vitro.
• Immediate efficacy of the canalith repositioning procedure for the treatment of benign paroxysmal positional vertigo.
• Induction of cell death by combination treatment with cisplatin and 5-fluorouracil in a human oral squamous cell carcinoma cell line.
• Integration of cognitive and motivational context information in the primate prefrontal cortex.
• Liposarcoma of temporal bone: A case report.
• -channel-18045588.html">Nicorandil enhances the effect of endothelial nitric oxide under hypoxia-reoxygenation: Role of the K(ATP)atp" were changed to "KATP". Please check.--> channel.
• QSAR of molecular structure and cytotoxic activity of vitamin K2 derivatives with concept of absolute hardness.
• Quantitative structure-activity relationship analysis of 4-trifluoromethylimidazole derivatives with the concept of absolute hardness.
• Quantitative structure-cytotoxicity relationship analysis of phenoxazine derivatives by semiempirical molecular-orbital method.
• Relationship between electronic structure and cytotoxic activity of azulenequinones and trihaloacetylazulenes.
• Role of mitochondria and divalent cations in the regulation of phosphatidylcholine and phosphatidylethanolamine biosynthesis by a microsomes-cell supernatant fraction of rat liver.
• Separation and purification of phospholipid exchange proteins in rat small intestinal mucosa.
• Sphingomyelins in human erythrocytes and plasma.
• Structure-activity relationship studies on quorum sensing ComX(RO-E-2) pheromone.
• Studies on the composition of phospholipids in rat small intestinal smooth muscle.
• Taste disturbance and its recovery after middle ear surgery.
• Tumor-specific cytotoxic activity and type of cell death induced by 4-trifluoromethylimidazoles in human oral squamous cell carcinoma cell lines.
• Tumor-specificity and type of cell death induced by phenoxazines.
• Vestibular evoked myogenic potentials of undiagnosed dizziness.
• [Orthostatic hypotension]
• [Shy-Drager syndrome]
• [Ventricular parasystole]