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The synthesis of some new quinoxaline-1,2,4-oxadiazole-amide conjugates (6a–n) was described, and their structures were determined using 1HNMR, 13CNMR, and mass spectral analysis. The in vitro anti-cancer activity of the compounds (6a–n) against three human cancer cell lines such as MCF-7 (breast), HepG2 (lung), and DU-145 (prostate) revealed that the compounds 6d, 6e, and 6f exhibited promising activity against three cancer cell lines. Predominantly, compound 6f demonstrated greater activity than the standard drug Etoposide on MCF-7, HepG2, and DU-145 with IC50 values of 0.82 ± 0.01, 1.30 ± 0.02, and 2.12 ± 0.04 µM, respectively. Furthermore, the compounds 6e and 6f displayed promising inhibitory activity over the tyrosine kinase EGFR when compared with the standard Erlotinib. Molecular docking studies carried out on three potent compounds (6d, 6e, and 6f) on the EGFR receptor recommended that the compound 6f strongly binds to protein EGFR (pdbid: 4HJO). In addition, the in silico pharmacokinetic profile was also achieved for the three potent compounds 6d, 6e, and 6f using SWISS/ADME and pk CSM. Results showed that the compounds 6d, 6e, and 6f followed the Lipinski rule, Veber rule, Egan rule, Ghose rule, and Muegge rule without any deviation. [ABSTRACT FROM AUTHOR]

In this paper, we describe the synthesis of indolyl aryl sulfonamide conjugates (6 a–n). The anti‐tumour activity was assessed on three human cancer cell lines: A‐549 (lung), HeLa (cervix), and MCF‐7 (breast). Nocodazole was used as a standard drug by employing the MTT assay method. The results show that the compounds 6 b, 6 l, and 6 m have shown more potent activity as compared to the standard drug Nocodazole. In a cell survivability test (MCF‐10 A), three potent compounds (6 b, 6 l, and 6 m) were evaluated against the normal breast cell line, although neither of them displayed any significant cytotoxicity with IC50 values greater than 78.45 μM. Furthermore, the compounds 6 b, 6 l, and 6 m were tested for tyrosine kinase EGFR inhibitory action using Combretastatin A‐4 as the reference drug. The in vitro tubulin polymerization inhibitory activity indicates that the compounds 6b and 6 l showed promising potency with IC50 values of 2.40±0.02 and 2.34±0.03 mM, respectively. In addition to this, molecular docking studies of compounds 6 b, 6 l, and 6 m demonstrated that these compounds had more EGFR binding interactions. The potent compounds 6 b, 6 l, and 6 m were subjected to in silico pharmacokinetic assessment by SWISS, ADME, and pkCSM. While the compounds 6 b, 6 l, and 6 m followed five filters (Lipinski rule, Ghose rule, Veber rule, Egan rule, and Muegge rule) without any deviation. [ABSTRACT FROM AUTHOR]

We have presented the synthesis of some new quinoline linked fused isoxazoles via copper (I) catalyzed azide alkyne cycloaddition (CuAAC) followed by intramolecular C−H arylation of isoxazole ring using PdCl2(PPh3)2 catalyst. All the synthesized compounds were investigated for anticancer activity against three human breast cancer cell lines such as MCF‐7, MDA‐MB‐468 and MDA‐MB‐231 using MTT assay and 5‐fluorouracil (5‐FU) was used as a standard drug. In this study, three compounds were exhibited greater activity than reference drug 5‐FU against three cell lines which further screened for in vitro tyrosine kinase EGFR inhibition and molecular docking studies by taking EGFR protein as the target. Finally, insilico pharmacokinetic profile of the same compounds was obtained using SWISSADME where two compounds following Lipinski, Ghose, Veber, Egan, and Muegge rules. [ABSTRACT FROM AUTHOR]

We herein, described the synthesis of some new phthalazine-piperazine-1,2,4-oxadiazole hybrids (4a–n). All the synthesized compounds were evaluated for their in vitro anti-cancer activity against three human cancer cell lines including MCF-7 (breast cancer), A549 (lung cancer) and DU-145 (prostate cancer). In this study, Etoposide was used as a positive control. The results revealed that the compounds 4d, 4e, 4c, and 4h exhibited promising activity against three cancer cell lines. Predominantly, compound 4d displayed greater activity than the standard drug etoposide (with IC50 value 0.92 µM against MCF-7) on MCF-7, A549 and DU-145 with IC50 values of 0.90 ± 0.02, 1.40 ± 0.06, and 2.16 ± 0.02 µM, respectively. The cell viability assay carried out toward a normal breast cell line (MCF-10A) for four potent compounds 4d, 4e, 4c, and 4h did not exhibit significant cytotoxicity with IC50 values above 97.74 µM for all compounds. Furthermore, the compounds 4d, 4e, 4c, and 4h displayed promising inhibitory activity over tyrosine kinase EGFR when compared with the standard erlotinib. Molecular docking studies of potent compounds 4d, 4e, 4c, and 4h on EGFR receptor recommended that the more potent compound 4d strongly binds to protein EGFR (pdb id: 4HJO). The compound 4d is excellent for all tumor cells due to presence of nitro group in it comparable with 4e and it confirmed in docking analysis. In addition to this, in silico pharmacokinetic profile was achieved for the potent compounds 4d, 4e, 4c, and 4h using SWISS/ADME and pk CSM, whereas 4e, 4c, and 4h compounds followed Lipinski, Veber, and Muegge rules without any deviation. [ABSTRACT FROM AUTHOR]

A base‐free and efficient tandem one‐pot α‐ketoamide bond formation via tert‐butyl hydroperoxide (TBHP) mediated oxidative coupling of α‐hydroxy acetophenones with primary and secondary amines under Ag(I)‐N‐Heterocyclic carbene (Ag(I)−NHC) catalysis in water was developed herein for the first time. [ABSTRACT FROM AUTHOR]

In this work we have described the synthesis of thiazolidine‐2,4‐dione‐1,2,3‐triazole hybrids (7 a–n) via ring‐B modification of Combretastatin A‐4 involving reactions namely Knoevenagel condensation, O‐propargylation and finally copper (I) catalyzed azide‐alkyne cycloaddition (CuAAC). They were tested for the in vitro anticancer activity against A549, MCF‐7 and HeLa cell lines using MTT assay where some compounds were exhibited more potency than the Nocodazole. In vitro tubulin polymerization inhibition assay for the same compounds revealed that they were more potent in inhibiting tubulin with IC50 values ranging from 0.22 μM to 0.64 μM compared reference drug Combretastatin A‐4. Molecular docking studies of active compounds with α,β‐tubulin revealed that they compounds have more binding energies than that of combretastatin A‐4. Finally, in silico pharmacokinetic profile was achieved for the same compounds using SWISS/ADME and pkCSM, where some of them have followed Lipinski rule and Veber rule. [ABSTRACT FROM AUTHOR]

Herein, we described the synthesis of some new aromatic amides of 4β‐imidazolopodophyllotoxin (6 a–p) and their anticancer evaluation against four human cancer cell lines like MCF‐7 (breast), A549 (lung), Hela (cervical) and DU‐145 (prostate). Out of all, compounds 6 d, 6 e, 6 g, 6 i, 6 j, 6 l, 6 n and 6 o were found to be active with IC50 values in the range of 0.59‐10 μM. Specifically, compound 6 o showed greater potency against all the cell lines than the standard etoposide. Predominantly, compounds 6 e, 6 j and 6 o observed to be 3 to 4 times more potent against DU‐145 than the standard. The molecular docking studies of three active compounds 6 e, 6 j and 6 o on target protein DNA topoisomerase II were also conducted and found that binding affinity and free energies obtained were in good covenant with the corresponding IC50 values. Finally, the results of in silico ADMET revealed that, compounds 6 e, 6 j and 6 o have shown 100 % intestinal absorption and none of them exhibited AMES and hepato toxicity. [ABSTRACT FROM AUTHOR]

Herein, we first time developed a simple, readily available, clean and efficient CuCN/[bmim][PF6] system for the one-pot synthesis of 3-aminoindolizines using commercially available starting materials which included pyridine-2-carbaldehyde, secondary amines, and terminal alkynes. As well, the CuCN/[bmim][PF6] system was reused six times without any appreciable change in its activity. [ABSTRACT FROM AUTHOR]

In this study, a series of novel geminal bis 1,2,3‐triazoles linked to 2H‐furo[2,3‐d][1,3]thiazine‐2,4,5(1H,6H)‐trione (3a‐3m) were prepared in one pot starting from 5‐Acetyl‐4‐Hydroxy‐1,3‐thiazine‐2,6‐dione (1) to 6,6‐diazido‐2H‐furo[2,3‐d][1,3]thiazine‐2,4,5(1H,6H)‐trione (2) followed by Cu(I)‐catalyzed azide‐alkyne cycloaddition. The synthesized compounds were further explored for in vitro cytotoxic activity against PC3, A549, MCF‐7, and HeLa cell lines and results revealed that the five compounds 3c, 3d, 3g, 3l, and 3m have displayed comparable in vitro cytotoxic activity with the standard drug Etoposide. [ABSTRACT FROM AUTHOR]

A stoichiometric C-H activation/decarbonylation of salicylaldehyde by [(η6- p-cymene)RuCl2]2 gave a carbonyl derivative [(η6- p-cymene)RuCl(CO)(Ph-O)] ( 1) without the use of CO gas. A variety of polar phosphines were then incorporated into compound 1 to give new RuII cationic catalysts, [(η6- p-cymene)Ru(CO)(Ph-O)L]BF4 ( 2- 8). These were used to catalyse the hydrothiolation of alkynes with a range of thiols in aqueous THF to give anti-Markovnikov E-linear vinyl sulfides in high yields. [ABSTRACT FROM AUTHOR]

A one-pot three-component reaction of several 2-ketoaldehydes, secondary amines and terminal alkynes to access 3-aminofurans proceeded well in [bmim][PF 6 ] using a simple and cheap CuI catalyst. The resultant 3-aminofuran products were easily isolated using diethyl ether and the CuI/[bmim][PF 6 ] system was reused six times with a slight decrease in the activity.