Synthesis and molecular modeling studies of novel pyrrole analogs as antimycobacterial agents

Joshi, Shrinivas D.; More, Uttam A.; Pansuriya, Ketan; Aminabhavi, Tejraj M.; Gadad, Andanappa K.

doi:10.1016/j.jscs.2013.09.002

Cited by 23 publications

(16 citation statements)

References 34 publications

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“…All of obtained compounds displayed good activity against tested bacteria and one of them showed activity better than positive controls (ciprofloxacin and norfloxacin). Performed structureactivity relationship analysis proved that compounds with oxadiazole scaffold were more active than starting Schiff bases (Figs 19 and 20, Table 5) (Joshi et al 2017).…”

Section: Antibacterial Activitymentioning

confidence: 99%

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Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

2019

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In the last 20 years there has been a significant increase in interest in the structure of oxadiazole derivatives, especially 3-acetyl-1,3,4-oxadiazolines. It is known that these derivatives possess: antibacterial, antifungal, antitubercular, antiprotozoal, anticancer and anti-inflammatory activity. Therefore, many medicinal chemists choose 3-acetyl-1,3,4oxadiazoline scaffold for the synthesis of new potentially active substances with a better effectiveness and less toxicity. This article is a literature review since 2000 presenting new derivatives with proven antimicrobial and antiprotozoal activity, containing in its structure a 3-acetyl-1,3,4-oxadiazoline system.

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Section: Antibacterial Activitymentioning

confidence: 99%

“…18) (Lole et al 2016). Joshi et al (2017) published interesting research concerning 4-(4-pyrrol-1-yl/2,5-dimethyl-4-pyrrol-1-yl)benzoic acid hydrazide derivatives. Synthesized compounds (57-66) were tested towards: S. aureus ATCC 11632, B. subtilis ATCC 60511, E. coli ATCC 10536 and Vibrio cholerae.…”

Section: Antibacterial Activitymentioning

confidence: 99%

Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

2019

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“…The co-crystalized ligand and water molecules were removed from the structure, while H atoms were added and side chains were fixed during protein preparation. The Surflex-Dock (SFXC) docking mode was used, and the procedure was conducted as previously described [19]. Surflex-Dock was employed for the molecular docking study.…”

Section: Molecular Docking Simulationmentioning

confidence: 99%

Targeting P-Glycoprotein: Nelfinavir Reverses Adriamycin Resistance in K562/ADR Cells

Wei

Meng

Sun

et al. 2018

Cell Physiol Biochem

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Background/Aims: The emergence of multidrug resistance (MDR) caused by P-glycoprotein (P-gp) overexpression is a serious obstacle to the treatment of chronic myelocytic leukemia. In recent years, some clinical trials have shown that nelfinavir (NFV), a traditional anti-HIV drug, has anti-cancer effects. Some researchers have also shown NFV might be a potential P-gp inhibitor. This study is aimed at investigating whether nelfinavir can act as an MDR-reversal drug and to clarify its molecular mechanism as well. Methods: K562 and K562/ADR cell lines were applied in the study. Cytotoxicity was detected by CCK-8 reagents. Cell apoptosis was detected by flow cytometry and inverted fluorescence microscopy to detect the binding of apoptotic dyes to cells. Western blot was used to detect the expression of proteins. Drug-protein molecular docking simulation by using Sybyl-x 2.0 software. Results: Non-toxic concentrations of NFV (1.25–5 μM) could reverse Adriamycin (ADR), colchicine, paclitaxel, and imatinib resistance of K562/ADR cells, with reversal indexes of up to 10.8, 7.4, 57, and 9.3, respectively. NFV inhibited P-gp efflux function, as evidenced by the significant increase in the intracellular accumulation of ADR and Rho-123, without affecting P-gp protein and mRNA expression levels. Further ATP content detection and molecular docking simulations showed that NFV could decrease intracellular ATP content and has a high affinity with the active functional regions of P-gp, respectively. When co-administered with ADR, NFV increased intracellular reactive oxygen species as well as blocked the ERK/Akt signaling pathway, leading to cell apoptosis. Conclusion: NFV inhibited P-gp function, decreased intracellular ATP content, and promoted cell apoptosis in K562/ADR cells, thereby reversing MDR. These findings encourage further animal and clinical MDR studies with a combination therapy consisting of NFV and chemotherapeutic drugs.

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“…In our ongoing efforts to synthesize new potential inhibitors of InhA enzyme bearing pyrrole, aryloxy and -C=N-NHCO-bridge have been used as core fragments compared to PT70 and TCL [5][6][7]. We then have synthesized these along with 2D and 3D-QSAR studies [8,9].…”

Section: Editorialmentioning

confidence: 99%

Pyrrole Analogs as Novel Organic Molecules to Combat Tuberculosis

Sd¹,

Tm²

2016

J Pharma Care Health Sys

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Synthesis and molecular modeling studies of novel pyrrole analogs as antimycobacterial agents

Cited by 23 publications

References 34 publications

Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

Antimicrobial and antiprotozoal activity of 3-acetyl-2,5-disubstituted-1,3,4-oxadiazolines: a review

Targeting P-Glycoprotein: Nelfinavir Reverses Adriamycin Resistance in K562/ADR Cells

Pyrrole Analogs as Novel Organic Molecules to Combat Tuberculosis

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