Structure-based design, synthesis, and molecular modeling studies of 1-(benzo[d]thiazol-2-yl)-3-(substituted aryl)urea derivatives as novel anti-Parkinsonian agents

Azam, Faizul; Prasad, Medapati Vijaya Vara; Thangavel, Neelaveni

doi:10.1007/s00044-011-9786-y

Cited by 14 publications

(3 citation statements)

References 39 publications

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“…Furfuryl (240), 2-and/or 3- methoxy (241), substituted phenyl derivatives emerged as potent antiParkinsonian agents. SAR study reveals, 2-chloro, 5-trifluoromethyl-substituted analog, halogen substituted in the phenyl ring exhibited less effective/moderate antiParkinsonian activity [276]. Biphenylbenzothiazole-2-carboxamide derivatives were synthesized and evaluated for their diuretic potential.…”

Section: Bta As Antidepressants Agentsmentioning

confidence: 99%

A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry

Keri

Patil

et al. 2015

European Journal of Medicinal Chemistry

484

238

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Section: Bta As Antidepressants Agentsmentioning

confidence: 99%

A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry

Keri

Patil

et al. 2015

European Journal of Medicinal Chemistry

484

238

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“…The docking protocol used in the present study was therefore validated by docking all native co-crystallized ligand molecules to their respective proteins (PDB code: 1JXA, 1YXD, 1JIJ, 1HNJ, 4UAG and 3U2K). According to the method of validation, if the RMSD (root mean square deviation) of the best docked conformation is ≤2.0 Å from the experimental one, the used scoring function is successful [16][17][18]. The RMSD values of the native cocrystallized ligands after docking were ≤2.0 Å (data not shown), which confirms the reliability of AutoDock for docking compound 3 into crystal structures of different antibacterial drug targets.…”

mentioning

confidence: 70%

Oxasetin from Lophiostoma sp. of the Baltic Sea: Identification, in silico Binding Mode Prediction and Antibacterial Evaluation against Fish Pathogenic Bacteria

Shushni

Azam

Lindequist

2013

Natural Product Communications

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Because of the evolving resistance of microorganisms against existing antibiotics, there is an increasing need for new ones, not only in human, but also in veterinary medicine. The dichloromethane extract of a fungal strain of the genus Lophiostoma, isolated from driftwood collected from the coast of the Baltic Sea, displayed antibacterial activity against some fish pathogenic bacteria. Ergosterol epoxide (1), cerebroside C (2) and oxasetin (3) were isolated from the extract and structurally elucidated on the basis of spectroscopic data and chemical evidence. Compound 3 exhibited in vitro activity against Vibrio anguillarum, Flexibacter maritimus and Pseudomonas anguilliseptica with minimal inhibitory concentrations of 12.5, 12.5 and 6.25 µg/mL, respectively. Molecular docking studies were performed to understand the interaction of compound 3 with different macromolecular targets. Analysis of in silico results, together with experimental findings, validates the antimicrobial activity associated with compound 3. These results may be exploited in lead optimization and development of potent antibacterial agents.

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“…For instance, frentizole (I, Figure 2) acts as an immunosuppressant and is used for the treatment of Alzheimer's disease (AD), behaving as a weak inhibitor of the Aβ-ABAD interaction (IC 50 = 200 µM) [32]. Some diarylureas bearing a BTA moiety were studied for the treatment of Parkinson's disease (PD) as they showed high activity in alleviating haloperidol-induced catalepsy and oxidative stress in mice (II, Figure 2) [33]. The thiourea-containing benzothiazole derivative III, depicted in Figure 2, showed high antiproliferative activity against the human cell line U-937 (human macrophage cell line) when compared to standard drug etoposide [34].…”

Section: Introductionmentioning

confidence: 99%

Benzothiazole-Containing Analogues of Triclocarban with Potent Antibacterial Activity

et al. 2021

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Triclocarban (TCC) is a polychlorinated, aromatic, antimicrobial agent commercially used since the 1950s in personal care products for the prevention of spoilage and infections. Humans are frequently exposed to TCC due to its widespread use, leading to its substantial release into the aquatic environment. With the recent ban of TCC from some personal care products, implemented in 2016, many replacement antimicrobial compounds have been studied by researchers. Herein, we report the synthesis and biological activity of a series of diarylureas, analogues of TCC that bear the benzothiazole nucleus as one of the two aryl moieties. Among the studied compounds, 2bF and 2eC showed the highest antimicrobial activity against Staphylococcus aureus, being also more active than TCC, with MIC values of 8 µg/mL versus 16 µg/mL of TCC. Moreover, compound 2bB was much more active than TCC against Enterococcus faecalis, a Gram-positive bacterium that is, unfortunately, strongly responsible for nosocomial infections. Finally, interesting results were found for compound 2bG that, even though less active than the others, exerts an interesting bactericidal action.

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Structure-based design, synthesis, and molecular modeling studies of 1-(benzo[d]thiazol-2-yl)-3-(substituted aryl)urea derivatives as novel anti-Parkinsonian agents

Cited by 14 publications

References 39 publications

A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry

A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry

Oxasetin from Lophiostoma sp. of the Baltic Sea: Identification, in silico Binding Mode Prediction and Antibacterial Evaluation against Fish Pathogenic Bacteria

Benzothiazole-Containing Analogues of Triclocarban with Potent Antibacterial Activity

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