three-dimensional quantitative structure activity relationship approach series of 3-bromo-4-(1-h-3-indolyl)-2, 5-dihydro-1h-2, 5- pyrroledione as antibacterial agents
نویسندگان
چکیده
the use of quantitative structure–activity relationships, since its advent, has becomeincreasingly helpful in understanding many aspects of biochemical interactions in drug research.this approach was utilized to explain the relationship of structure with biological activity ofantibacterial. for the development of new fungicides against, the quantitative structural–activityrelationship (qsar) analyses for fungicidal activities of pyrroledione derivatives were carriedout using multiple linear regression (mlr) quantitative structure–activity relationship (qsar)analysis was performed on a series of 3-bromo-4-(1-h-3-indolyl)-2, 5-dihydro-1h-2, 5-pyrroledione derivatives.qsar investigations were based on hansch's extra thermodynamicmulti-parameter approach. qsar investigations reveal that steric and electrostatic interactionsare primarily responsible for enzyme–ligand interaction. these studies produced good predictivemodels and give statistically significant correlations of selective cox-2 inhibitory with physicalproperty, connectivity and conformation of molecule. also when available cox-1 inhibitorydata was analyzed with descriptors obtained from chem. office 2007, partial charge descriptor,van der waal’s surface area and solvation energy gave statistically significant results. the resultsobtained by combining these methodologies give insights into the key features for designingmore potent analogs antibacterial.
منابع مشابه
Three-dimensional quantitative structure activity relationship approach series of 3-Bromo-4-(1-H-3-Indolyl)-2, 5-Dihydro-1H-2, 5- Pyrroledione as antibacterial agents
The use of quantitative structure–activity relationships, since its advent, has becomeincreasingly helpful in understanding many aspects of biochemical interactions in drug research.This approach was utilized to explain the relationship of structure with biological activity ofantibacterial. For the development of new fungicides against, the quantitative structural–activityrelationship (QSAR) an...
متن کاملQuantitative structure activity relationship analysis of a series of antibacterial 3-bromo-4-(1-H-3-indolyl)-2, 5-dihydro-1H-2, 5- pyrroledione derivatives
The use of quantitative structure–activity relationships, since its advent, has become increasingly helpful in understanding many aspects of biochemical interactions in drug research. This approach was utilized to explain the relationship of structure with biological activity of antibacterial. For the development of new fungicides against, the quantitative structural–activity relationship (QSAR...
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3-(2’-n-butylbenzofuran-3’-yl)-5-aryl-4, 5-dihydro-1H-pyrazoles (4a-4k) have been synthesized. The synthesized products have been assayed for their antimicrobial activity against Gram+ve, Gram-ve bacteria and fungi. All the synthesized products were assigned with IR, 1HNMR, Mass Spectra, TLC, and elemental analysis. Some of the products showed moderate activi...
متن کاملSYNTHESIS AND ANTIMICROBIAL ACTIVITY OF 3-(2’-n-BUTYLBENZOFURAN-3’-YL)-5-ARYL-4, 5-DIHYDRO-1H-PYRAZOLES.
3-(2’-n-butylbenzofuran-3’-yl)-5-aryl-4, 5-dihydro-1H-pyrazoles (4a-4k) have been synthesized. The synthesized products have been assayed for their antimicrobial activity against Gram+ve, Gram-ve bacteria and fungi. All the synthesized products were assigned with IR, 1HNMR, Mass Spectra, TLC, and elemental analysis. Some of the products showed moderate activi...
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Densely functionalized 3-(4-chlorophenyl)-5-(3-hydroxy-4-etoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide was synthesized in an expedient manner through specification and transamidation respectively, of ester-functionalized pyrazoles. This synthetic protocol allowed for three diversifying steps in which appendages on the pyrazole scaffold were adjusted to optimize inhibition of protein kina...
متن کاملSynthesis and Leishmanicidal Activity of 1-[5-(5-nitrofuran-2-yl)-1, 3, 4-thiadiazole-2-yl]-4-benzoylepiperazines
A series of (5-nitrofuran-2-yl)-1, 3, 4-thiadiazole-2-yl derivatives 6a–6e have been synthesized and screened for in vitro anti-leishmanial activity against the promastigote form of L. major. The structure of Schiff bases were confirmed by 1H NMR, IR. Screening results indicate that all of the designed and synthesized final compounds (6a-6e) significantly reduced the viability of promastigotes ...
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عنوان ژورنال:
journal of the iranian chemical researchجلد ۳، شماره ۱، صفحات ۴۹-۵۸
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