- Novel furan coupled quinoline diamide hybrid scaffolds as potent antitubercular agents: Design, synthesis and molecular modelling
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Background: A novel series of 2-[(2-{[2-(furan-2-yl) quinolin-4-yl] carbonyl} hydrazi-nyl) carbonyl] benzoic acid,-4-oxobut-2-enoic acid and-4-oxobutanoic acids were synthesized and screened for in vitro antitubercular activity. Objectives: In the present investigation, we describe the synthesis and biological screening of furan C-2 quinoline coupled diamides for antitubercular activity. Methods: The mycobacterium tuberculai testing was carried out by MABA method and molecular docking studies were done by open-source molecular docking program, Autovina, using Pyrx 0.8 interface. Results: The results revealed that the compounds inhibited the growth of H37Rv strain at concen-trations as low as 1.6 to 12 μg/ml. Molecular binding of furan, quinoline and diamide (FQD) derivatives on five targets was good and these compounds fit very well within the binding domain of the target protein. Conclusion: The synthesized FQD derivatives exhibited moderate to good inhibition activity es-pecially compounds 5f, 5b and 8a exhibited very good inhibition activity due to the presence of three different scaffolds, such as INH, phenyl ketobutyric acid and fluoroquinolines. Hybridized molecules might have multiple modes of action / inhibit more than one tubercular target and could pave way for novel drug discovery in the field of tuberculosis.
- Ayyanar, Siva,Pathak, Lokesh,Rajpurohit, Anantacharya,Rishinaradamangalam, Chidam-Baram R.,Satyanarayan, Nayak D.,Shoorapani, Praveen
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p. 507 - 516
(2020/06/21)
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- In Vitro antioxidant, antimicrobial and admet study of novel furan/benzofuran C-2 coupled quinoline hybrids
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Objective: Synthesis of novel 2-(benzofuran-2-yl) and 2-(furan-2-yl) quinoline-4-carboxylates and their [2-(1-benzofuran-2-yl) quinolin-4-yl] methanol, [2-(1-furan-2-yl) quinolin-4-yl] methanol and its derivatives for antioxidant, antimicrobial and in silico pharmacokinetic study. Methods: Synthesis was carried with the conventional method and the structures were confirmed by IR, 1H NMR, 13C NMR and mass spectral analysis. The antioxidant activity was performed by DPPH and H2O2 radical scavenging method. The antimicrobial investigation was established by cup plate and food poison technique. The in silico absorption, distribution, metabolism, excretion and toxicity (ADMET) study of the drug was carried out in ACD/lab-2. Results: The antioxidant activity results revealed that compounds 4b-c, 5a-b, 10c and 10f exhibited good DPPH radical and hydrogen peroxide scavenging activity. The antibacterial results revealed that compounds 4c, 5a-b, 10b, 10d and 10f exhibited good activity against Escherichia coli, Klebsiella pneumonia and Salmonella typhimurium. Further, the antifungal activity results showed that compounds 4c, 5c and 10c-e were showing good activity against Aspergillusflavus and Candida neoformans. The mean value of P0.05 were considered to be statistically significant. The ADMET results revealed that compounds emerged as a potential candidate for antioxidant and antimicrobial agents. Conclusion: The study reveals that compounds containing furan/benzofuran coupled heterocycles played the important role for activity as they possess potent antioxidant and antimicrobial agents. The in silico ADME analysis also suggesting the compounds were in acceptable range to obey the pharmacokinetic parameters.
- Rajpurohit, Anantacharya,Satyanarayan, Nayak D.,Patil, Sameer,Mahadevan, Kittappa M.,Adarsha
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p. 144 - 153
(2017/11/30)
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- COMPOSITIONS AND METHODS USEFUL FOR TREATING DISEASES
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The present invention relates to a compositions for and methods of cancer treatment in which compounds of Formula I or Formula II. In some aspects, the treatment of B-cell Lymphoma or other hematopoietic cancers is encompassed. In other aspects, the invention provides methods for treating particular types of hematopoietic cancers, such as B-cell lymphoma, using a combination of one or more compounds of Formula I or Formula II. Combination therapy with, for example, a class of therapeutics known as 26S proteasome inhibitors, for example, Bortezomib, are also included. In another aspect the present invention relates to autoimmune treatment with compounds of Formula I or Formula II. In another aspect, this invention relates to methods for identifying compounds, for example, compounds of the BH3 mimic class, that have unique in vitro properties that predict in vivo efficacy against B-cell lymphoma tumors and other cancers as well as autoimmune disease.
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Paragraph 0343; 0344; 0345; 0370; 0373; 0376; 0378
(2014/08/19)
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- Synthesis, characterization and antibacterial activities of some N-bridged heterocycles containing triazole, quinoline and nitrofuran moieties
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A series of 2-(2-furyl)4-quinolinecarboxylic acids (3), 2-(5-nitro-2-furyl)4-quinolinecarboxylic acids (6), 4-(3-aryloxymethyl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazolo-6-yl)-2- (furyl)quinolines (5) and 4-(3-aryloxymethyl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazolo-6-yl)-2- (5-nitro-2-furyl)quinolines (7) were synthesized. The structures of the newly synthesized compounds are confirmed on the basis of elemental analysis, IR, 1H-NMR and mass spectral data. The newly synthesized compounds are evaluated for their antibacterial activities. Compounds containing nitrofuran moiety showed excellent antibacterial activity. Results of such studies are disscussed in this paper.
- Holla, B. Shivarama,Shridhara,Rao, B. Sooryanarayana,Poojary, K. Narayana
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p. 105 - 109
(2007/10/03)
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