No abstract

In search of better antibacterial and anticancer agents, a series of novel 4‐[3‐fluoro‐4‐(morpholin‐4‐yl)]phenyl‐1H‐1,2,3‐triazole derivatives were synthesized (6a‐l and 8a‐j) by using 3‐fluoro‐4‐morpholinoaniline, alkyne, and triflyl azide via an in situ generated 4‐(4‐azido‐2‐fluorophenyl)morpholine and evaluated for their antibacterial and anticancer activity in vitro. Antibacterial activity against three G+ bacterial strains and anticancer activity against breast cancer cell line (MCF‐7) and cervical carcinoma cell line (HeLa) was evaluated. Among all the tested compounds, 6h, 6i, and 8b exhibited potent antibacterial activity against tested gram‐positive bacterial strains. The anticancer activity screening results of 8f, 8h, and 8i exhibited potent cytotoxic activity against two cancer cell lines with IC50 values nearer to the standard drug, doxorubicin. The remaining compounds have shown good to moderate activity against the tested cell lines. On the basis of the results obtained, a structure‐activity relationship (SAR) is discussed.

No abstract

The synthesis of some novel 4‐azaindole‐1,2,4‐oxadiazole hybrids (5 a–5 q) from the reaction between 1H‐pyrrolo[3,2‐b]pyridine‐3‐carbonitrile and readily available aromatic carboxylic acids using was described herein. All these hybrids were evaluated for their in vitro anticancer activity against three human cancer cell lines namely A375 (melanoma), MCF7 (breast) and A549 (lung) using MTT assay and outcomes revealed that three compounds like 5 c, 5 f and 5 m displayed superior inhibitory activities against all the cell lines than the standard. In those, predominantly, the compound 5 m showed outstanding activity in MCF‐7 cell line possessing IC50 values 0.48 μM. In addition, the in silico studies of three potent compounds 5 c, 5 f and 5 m were carried out to identify the interactions against EGFR receptor and found that the energy calculations were in good agreement with the obtained IC50 values. Furthermore, the compounds 5 c, 5 f and 5 m exhibited promising inhibitory activity against tyrosine kinase EGFR. Among them, the compounds 5 f and 5 m displayed superior activity against tyrosine kinase EGFR when compared with the standard Erlotinib.

No abstract

As a part of our endeavor toward the synthesis of a new class of biologically potent heterocyclic hybrids, a series of newly fused thiazolo[2,3-b]pyrimidinones bearing a pyrazolylcoumarin moiety (6a-p) were synthesized in acceptable yields. Anticipated structures of all titled compounds were in agreement with spectral and analytical (C, H and N) analyses. The compounds were screened for in vitro antibacterial activity against both G and G bacterial strains and antiproliferative activity against K562 (chronic myelogenous leukemia), MCF-7 (breast cancer), MDA-MB-231 (breast cancer), COLO 205 (colorectal adenocarcinoma), HepG2 (hepatocellular carcinoma) cell lines. Further, potent antibacterial compounds were subjected to molecular docking studies in order to gain insight into their plausible binding modes and mechanism of action against MurB. The modeling results were in agreement with the experimental data.

Cu/Pd catalyzed one pot synthesis of fused benzoxazino[1,2,3]triazolyl[4,5-c]quinolinone hybrids and their cytotoxic activity against human cancer cell lines MCF-7, HeLa and A-549 is described.

A one‐step procedure for the synthesis of new fused Benzo[d]thiazolo‐1,2,3‐triazoles (3 a–3 h and 4 a–4 h) in good yields using sulfonylazides (2) and iodoalkyne (1) through from the 5‐iodo 1,2,3‐triazole generated in situ was developed. Among all, compounds 5‐chloro‐3‐(((1,1‐dioxidobenzo[d]thiazol‐2‐yl)sulfonyl)methyl)benzo[4,5]isothiazolo[2,3‐c] [1,2,3]triazole 8,8‐dioxide (3 e), 3‐(((1,1‐dioxidobenzo[d]thiazol‐2‐yl)sulfonyl)methyl)‐5‐fluorobenzo[4,5]isothiazolo [2,3‐c][1,2,3]triazole 8,8‐dioxide (3 f), 5‐bromo‐3‐(((5‐bromo‐1,1‐dioxidobenzo[d]thiazol‐2‐yl)sulfonyl)methyl)benzo [4,5]isothiazolo[2,3‐c][1,2,3]triazole 8,8‐dioxide (4 d), 3‐(((5‐bromo‐1,1‐dioxidobenzo[d]thiazol‐2‐yl)sulfonyl)methyl)‐5‐chlorobenzo [4,5]isothiazolo[2,3‐c][1,2,3]triazole 8,8‐dioxide (4 e) and 3‐(((5‐bromo‐1,1‐dioxidobenzo[d]thiazol‐2‐yl)sulfonyl)methyl)‐5‐fluorobenzo [4,5] isothiazolo[2,3‐c][1,2,3]triazole 8,8‐dioxide (4 f) showed superior activity against A‐549 and good activity against the MCF‐7. Later, in vitro EGFR results revealed that compounds 4 e and 4 f indicated promising potency with IC50 values of 0.316±0.07 and 0.211±0.09 μM respectively. In silico studies of five potent compounds were also carried out to identify interactions against EGFR receptors and found that the energy calculations were consistent with the IC50 values obtained. In silico pharmacokinetic profile was predicted for potent compounds 3 e, 3 f, 4 d, 4 e, and 4 f using SWISS/ADME and pkCSM, where, all the compounds followed the Lipinski rule without any deviation.