QSAR studies on some thiophene analogs as anti-inflammatory agents: enhancement of activity by electronic parameters and its utilization for chemical lead optimization

Pillai, Ajay D.; Rani, Shubha; Rathod, Parendu D.; Xavier, Franklin P.; Vasu, Kamala K.; Padh, Harish; Sudarsanam, V.

doi:10.1016/j.bmc.2004.11.016

Cited by 48 publications

(35 citation statements)

References 9 publications

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“…This permanent polarization may results in a dipole-dipole interaction with antibacterial target. 38 Squared correlation coefficient (r 2 ) of 0.839 in Eq. 1 explains 83.9 % variance in antibacterial activity against S. aureus.…”

Section: Qsar Model For Antibacterial Activity Againstmentioning

confidence: 99%

Substituted benzoic acid benzylidene/furan-2-yl-methylene hydrazides: synthesis, antimicrobial evaluation and QSAR analysis

Kumar¹,

Narasimhan²,

Sharma³

2008

Arkivoc

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Development of new antimicrobial agents is increasingly important due to the resistance of microbes to the known antimicrobial drugs. In the present work substituted benzoic acid hydrazides (1-10) were condensed with substituted aromatic and heteroaromatic aldehydes to yield the target products (11)(12)(13)(14)(15)(16)(17)(18)(19)(20). The synthesized compounds were tested in vitro for their antimicrobial activity against Gram positive, Gram negative bacterial and fungal species. The QSAR analysis applied to determine the correlation of antimicrobial activity of substituted hydrazide derivatives with their physicochemical properties indicated the importance of electronic parameters, dipole moment (µ) and energy of lowest unoccupied molecular orbital (LUMO) in describing antibacterial and antifungal activity respectively.

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Section: Qsar Model For Antibacterial Activity Againstmentioning

confidence: 99%

Substituted benzoic acid benzylidene/furan-2-yl-methylene hydrazides: synthesis, antimicrobial evaluation and QSAR analysis

Kumar¹,

Narasimhan²,

Sharma³

2008

Arkivoc

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“…Infrared spectra were recorded on Mattson 5000 FTIR spectrometer (λ, cm -1 ) using potassium bromide Wafer technique at the Microanalytical Unit, Faculty of Science, Mansoura University. The 1 H NMR spectra were determined on a Varian XL 200 MHz apparatus at the Microanalytical Center (Cairo University, Giza, Egypt) using CDCl 3 or DMSO as solvents and TMS as an internal standard. The mass spectra (EI) were recorded at 70 eV with Kratos MS equipment at the Microanalytical Center (Cairo University, Giza, Egypt).…”

Section: Methodsmentioning

confidence: 99%

“…The required amount vent (DMF) and added dropwis g/dm 3 ), an anionic dispersion agent of BASF, then the dye was precipitated fine dispersion ready for use in dyeing.…”

Section: Dy Ing Pr Ced Resmentioning

confidence: 99%

“…The dye bath (1:20 liquor ratio) containing 5 gdm 3 Levegal PT (carrier of Ba tic acid (pH = 5.5), was bro r fabric was entered at this degree and run for 15 Table 2 Sublimation yer) as a carrier, 4% ammonium sulfate and ace ught to 60 o C. The polyeste minutes. The fine dispersion of dye (2%) was added, temperature was risen to the boiling point within 45 minutes, dyeing was continued at boiling for about 1 hour, then the dyed material was rinsed and soaped with 2% nonionic detergent to improve the rubbing and wet fastness.…”

Section: ) Dyeing Of Polyester At 130 O C Under Pressure Using Fescamentioning

confidence: 99%

“…2-Aminothiophenes have demonstrated a broad spectrum of uses including pharmaceuticals [1][2][3], dyes and agrochemical applications. Traditionally, polysubstituted 2-aminothiophenes are prepared via the Gewald reaction [4].…”

Section: Introductionmentioning

confidence: 99%

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Synthesis of Azo-Dispersed Dyes Derived From 2-(2-Cyanoacetamido)-4,5,6,7-Tetrahydrobenzo-[b]Thiophene-3-Carboxamid]

Gouda¹,

Eldien²,

Girges³

et al. 2011

Latvian Journal of Chemistry

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Coupling of 2-(2-cyanoacetylamino) -4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (3) or 2-[2-(5-oxo-3-phenylthiazolidin-2-ylidene)]-2-cyanoacetamido-4,5,7-tetrahydrobenzo[b]thiophene-3-carboximide (6) with various diazotized aryl amines in pyridine gave the corresponding aryl hydrazonopropionitrile derivatives. Some of the synthesized dyes were applied to polyester fabrics as dispersed dyes in which their colour measurements and fastness properties were evaluated.

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Theoretical and Experimental In‐vitro Studies of Novel Thiophene Based Organotellurium(IV) Complexes

Bhardwaj,

Kumar,

Bendi

et al. 2024

Chemistry & Biodiversity

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Schiff bases are one of the important classes of organic compounds containing imine or azomethine functional groups with potential biological applications in medicinal chemistry. These bases played a significant role in developing inorganic, bioinorganic, and optical materials and coordination complexes. Nowadays, these compounds have attracted the scientific community's attention due to their ability to act as ligands in the formation of stable metal complexes with significant biological activity. In this connection, we have designed and synthesized some novel thiophene‐based organoltellurium (IV) complexes using a novel N‐((5‐methylthiophen‐2‐yl) methylene)‐2‐nitroaniline (5MTCONA) schiff base. The synthesized schiff base and organotellurium complexes were characterized with FT‐IR, Mass spectrometry, 1H NMR, 13C NMR, Powder XRD, and TGA. The in‐vitro pharmacological evaluation of these compounds has been carried out as antimicrobial and antioxidant agents. The theoretical studies (Semi empirical PM3 method, Molecular Docking, and ADMET) of all the compounds have also been carried out with Spartan‐14, Hex‐8.0., Swiss ADME software to support the experimental investigations and observed that both the results are in correlation with each other.

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QSAR studies on some thiophene analogs as anti-inflammatory agents: enhancement of activity by electronic parameters and its utilization for chemical lead optimization

Cited by 48 publications

References 9 publications

Substituted benzoic acid benzylidene/furan-2-yl-methylene hydrazides: synthesis, antimicrobial evaluation and QSAR analysis

Substituted benzoic acid benzylidene/furan-2-yl-methylene hydrazides: synthesis, antimicrobial evaluation and QSAR analysis

Synthesis of Azo-Dispersed Dyes Derived From 2-(2-Cyanoacetamido)-4,5,6,7-Tetrahydrobenzo-[b]Thiophene-3-Carboxamid]

Theoretical and Experimental In‐vitro Studies of Novel Thiophene Based Organotellurium(IV) Complexes

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