Synthesis of Thienopyrimidines and their Antipsychotic Activity

Sharma, Chandra P.; Yerande, Swapnil G.; Chavan, Rajashree S.; Bhosale, Ashok

doi:10.1155/2010/369141

Cited by 20 publications

(6 citation statements)

References 3 publications

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“…The inhibitors molecules induce cell death by trapping the gyrase DNA complex, inducing oxidative damage, and preventing DNA replication. 4 Thienopyrimidines represent important chemical class in drug discovery due to vast range of pharmacological properties including antiallergic, 5 antiviral, [6][7] anti-in-flammatory, [8][9][10][11][12] analgesic, [13][14] antispasmodic, antibacterial, [14][15] antifungal, 16 antimicrobial, [17][18][19][20][21] antidiabetic, 22 antioxidant, 23 antitumor, [24][25][26][27][28][29] antipsychotic 30 etc. This useful activity of thienopyrimidine generates our interest in developing a tool for screening novel thienopyrimidine analogs are promise antibacterial agent.…”

Section: Introductionmentioning

confidence: 99%

Combined 3D-QSAR and Molecular Docking Analysis of Thienopyrimidine Derivatives as Staphylococcus aureus Inhibitors

Ouassaf¹,

Belaidi

Khamouli³

et al. 2021

ACSi

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The discovery of antibacterials is considered one of the greatest medical achievements of all time. In this work, a combination of three computational analyzes: 3D-QSAR, molecular docking and ADME evaluation were applied in thienopyrimidine derivatives intended toward gram-positive bacterium Staphylococcus aureus. The validity of 3D-QSAR model was tested with a set of data which is divided into a training and a test set. The two models constructed (CoMFA and CoMSIA) show good statistical reliability (q2 = 0.758; r2 = 0.96; r2pred = 0.783) and (q2 = 0.744; r2 = 0.97; r2pred = 0.625) respectively. In addition, docking methods were applied to understand the structural features responsible for the affinity of the ligands in the binding of S. aureus DNA gyrase. Drug likeness and ADME analysis applied in this series of new proposed compounds, have shown that the five lead molecules would have the potential to be effective drugs and could be used as a starting point for designing compounds against Staphylococcus aureus.

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Section: Introductionmentioning

confidence: 99%

Combined 3D-QSAR and Molecular Docking Analysis of Thienopyrimidine Derivatives as Staphylococcus aureus Inhibitors

Ouassaf¹,

Belaidi

Khamouli³

et al. 2021

ACSi

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“… The vibration at 1670 cm –1 was ascribed to the ester carbonyl. This assignment was based on the known vibrations of similar compounds and from the calculated spectra of 1A and 2A . , This peak was consistent even after thermal annealing, and it provided sound evidence that the ester bond resisted polymerization. The imine CN vibration usually occurs at 1620–1680 cm –1 . − However, it overlapped with the CO and aromatic vibrations, making it difficult to identify .…”

Section: Resultsmentioning

confidence: 73%

“…This assignment was based on the known vibrations of similar compounds and from the calculated spectra of 1A and 2A. 42,43 This peak was consistent even after thermal annealing, and it provided sound evidence that the ester bond resisted polymerization. The imine CN vibration usually occurs at 1620−1680 cm −1 .…”

Section: Resultsmentioning

confidence: 81%

Engaging the Reversible Bonds of an Immobilized Styreno-Thiophene Film

Wałęsa‐Chorab

Skene

2020

Crystal Growth & Design

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The Gewald reaction was used to make a 2,5-diaminothiphonene that was functionalized with two styrene monomers. It was condensed with 2,5-thiophene dicarboxaldehyde to afford a conjugated azomethine triad. The X-ray crystallographic structure of the red-colored azomethine confirmed the antiparallel arrangement and the near-coplanarity of the three thiophenes. The terminal amines were also found to undergo both intra- and intermolecular hydrogen bonding with its ester carbonyl. Polymerization of the styrene functionalized azomethine was done in the solid state as thin films on glass substrates. The resulting red-colored film was electroactive and it changed to purple upon electrochemical oxidation. The reversible bonds in the cross-linked film retained their intrinsic dynamic character. They could be hydrolyzed to both their corresponding amine and aldehyde constitutional components, while also undergoing component exchange with aniline. These dynamic covalent bond forming reactions could be spectroscopically tracked courtesy of the intrinsic red color of the film.

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“…It has been reported that nucleophilic substitution of chlorosubstituted derivatives with different aromatic amines could be operated in DMF. 46) Reacting equimolar amounts of 7a, b with anthranilic acid in DMF containing catalytic amounts of anhydrous potassium carbonate afforded the 4-anilino derivatives 8a, b.…”

Section: )mentioning

confidence: 99%