QSAR and QSTR study of pyrimidine derivatives to improve their therapeutic index as antileishmanial agents

Iman, Maryam; Davood, Asghar

doi:10.1007/s00044-013-0477-8

Cited by 9 publications

(27 citation statements)

References 20 publications

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“…The compound has a center of symmetry and the S1 atom lies on the center of the mean planes. The linkage of the -S-S-bond between two aminopyrimidine rings and the dihedral angle between two aminopyrimidine rings is 90.79 (19) Å. In the structure, the two aminopyrimidine rings are in axial position.…”

Section: Crystal Structures Of (3)mentioning

confidence: 98%

“…Pyrimidines present a wide range of biological activities [1], as antifolate [2], antimicrobial [3,4], antifungal [5], anti-rubella [6], anti-HIV [7], antiviral [8], anti-inflammatory [9], antitumor [10,11], antimalarial [12,13] and antileishmanial [14][15][16][17][18][19][20] agents. On the other hands, tetrazoles exhibit appreciable biological activity [21], including glutathione reductase inhibitory activity [22] and antileishmanial activity against Leishmania braziliensis promastigotes [23].…”

Section: Introductionmentioning

confidence: 99%

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Antimony(III) complexes with 2-amino-4,6-dimethoxypyrimidines: Synthesis, characterization and biological evaluation

Tunç

Karacan

Ertabaklar

et al. 2015

Journal of Photochemistry and Photobiology B: Biology

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Section: Crystal Structures Of (3)mentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Antimony(III) complexes with 2-amino-4,6-dimethoxypyrimidines: Synthesis, characterization and biological evaluation

Tunç

Karacan

Ertabaklar

et al. 2015

Journal of Photochemistry and Photobiology B: Biology

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“…Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Toxicity Relationship (QSTR) models are mathematical equations relating the chemical structure of a substance to the ‎biological activity and toxicity, respectively (11-21). The current QSAR models are developed based on the resistant malarial strains TM90-C2B (chloroquine, mefloquine, pyrimethamine, and atovaquone resistant) and for cytotoxicity against J774 mammalian of a set of ‎‎28, quinolone derivatives which have already synthesized (22).…”

Section: Introductionmentioning

confidence: 99%

QSAR and QSTR study of selenocyanate derivatives to improve their therapeutic index as anti-leishmanial agents

Iman

Davood

2013

Med Chem Res

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Malaria is a parasitic disease caused by five different species of Plasmodium. More than 40% of the world’s population is at risk and malaria annual incidence is estimated to be more than two hundred million, malaria is one of the most important public health problems especially in children of the poorest parts of the world, annual mortality is about 1 million. The epidemiological status of the disease justifies to search for control measures, new therapeutic options and development of an effective vaccine. Chemotherapy options in malaria are limited, moreover, drug resistant rate is high. In spite of global efforts to develop an effective vaccine yet there is no vaccine available. In the current study, a series of quinolone derivatives were subjected to quantitative structure activity relationship (QSAR) and quantitative structure toxicity relationship (QSTR) analyses to identify the ideal physicochemical characteristics of potential anti-malaria activity and less cytotoxicity. Quinolone with desirable properties was built using HyperChem program, and conformational studies were performed through the semi-empirical method followed by the PM3 force field. Multi linear regression (MLR) was used as a chemo metric tool for quantitative structure activity relationship modeling and the developed models were shown to be statistically significant according to the validation parameters. The obtained QSAR model reveals that the descriptors PJI2, Mv, PCR, nBM, and VAR mainly affect the anti-malaria activity and descriptors MSD, MAXDP, and X1sol affect the cytotoxicity of the series of ligands.

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“…However, the prevalence in these provinces is much lower than the mean national rate. Previous studies have emphasized on the importance of education for coetaneous leishmaniasis (21) in the endemic regions of Isfahan (22). The healthcare system should determine whether the given education is in accordance with the recognized importance of diseases in the region or is inconsistent with the region's priorities.…”

Section: 1mentioning

confidence: 99%

Health Education Performance in Health Houses: A Descriptive study from Iran during April-September 2011

et al. 2018

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Background: One of the many tasks of rural health houses (HHs) is to provide health education for rural clients. Objectives: The purpose of this study was to assess the conditions and responsibilities of HHs regarding health education. Methods: Through systematic random sampling, 1600 HHs were selected during April-September 2011. Besides the characteristics of HHs, type of training, audience groups, time of education, number of participants, and reasons for educational classes were requested in a written format from the selected HHs. Data were analyzed using Excel 2007 and SPSS version 16. Results: In total, 21.9% of HHs had no group education within the first 5 months. Most education was related to the field of reproductive health, followed by intestinal diseases. The largest target group included mothers eligible for family planning. The mean duration of education was 33.6 minutes per week. Based on the findings, 55% of training was conducted due to provincial health priorities. Conclusions: Although cardiovascular diseases, road traffic accidents, and cancers are the major causes of mortality in Iran, most education concentrated on reproductive health, as well as mother and child health. Therefore, modifications in educational methods and planning are necessary.

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QSAR and QSTR study of pyrimidine derivatives to improve their therapeutic index as antileishmanial agents

Cited by 9 publications

References 20 publications

Antimony(III) complexes with 2-amino-4,6-dimethoxypyrimidines: Synthesis, characterization and biological evaluation

Antimony(III) complexes with 2-amino-4,6-dimethoxypyrimidines: Synthesis, characterization and biological evaluation

QSAR and QSTR study of selenocyanate derivatives to improve their therapeutic index as anti-leishmanial agents

Health Education Performance in Health Houses: A Descriptive study from Iran during April-September 2011

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