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Abstract: A series of C-(3-aminomethyl-cyclohexyl)-methylamine derivatives were synthesized and evaluated for their antitubercular activity. Some of the compounds exhibited potent activity against Mycobacterium tuberculosis H37Rv. One of the compound having t-butyl at para position of the benzene ring showed excellent activity even better than the standard drug ethambutol with MIC value 1.1±0.2μM. The time-kill kinetics study of two most active compounds showed rapid killing of the M. tuberculosis within 4days. Additionally atom-based quantitative structure–activity relationship (QSAR) model was developed that gave a statistically satisfying result (R 2)=0.92, Q 2 =0.75, Pearson-R =0.96 and effectively predicts the anti-tuberculosis activity of training and test set compounds. [Copyright &y& Elsevier]

Abstract: Thymol and carvacrol are well known antioxidants found in the extract of the plants of thyme species. The Schiff bases of 2-iso-propyl-5-methyl-phenol (thymol/1a), 2-tert-butyl-5-methyl-phenol (1b) and 5-iso-propyl-2-methyl-phenol (carvacrol/1c) exhibited much better antioxidant activity than thymol and carvacrol in DPPH assay. Ten compounds (4k, 4l, 4r, 5k, 5l, 5q, 5r, 6k, 6l and 6r) showed better or similar activity as compared to the reference compound ascorbic acid. Twenty-four most active compounds were also screened by ABTS method and showed 60–90% inhibition at 5μg/mL concentration. [Copyright &y& Elsevier]

Abstract: 2,2′-Diphenyl-3,3′-diindolylethylene (DPDIE) derivatives 3a–g were regioselectively prepared in one pot from indoles 1a–g in the presence of Lewis acids and were subsequently evaluated for cytotoxic activity against human leukemic cell lines, U937 and K562. The most potent compound 3g exhibited IC50 of 13.0–17.0μM. [Copyright &y& Elsevier]

Abstract: A series of benzyl-[3-(benzylamino-methyl)-cyclohexylmethyl]-amine derivatives with different substitution pattern on the aromatic ring have been prepared and evaluated for their antibacterial activity against Gram-positive and Gram-negative bacterial strains. Most of the compounds exhibit potent activity against Pseudomonas aeruginosa and Staphylococcus epidermidis while compounds 6l and 6m showed antibacterial activity against all the four bacterial strains with MIC values ranging from 0.002 to 0.016μg/mL and no hemolytic activity up to 512μg/mL in mammalian erythrocytes was observed. [Copyright &y& Elsevier]

[Display omitted] • Expeditious synthesis of twenty fused benzothiazole appended indenopyrazolones. • Structural confirmation by physical and spectral data (FTIR, NMR, and HRMS). • Evaluation of synthesized indenopyrazolones towards α -amylase inhibiton. • Glucose diffusion inhibitory activity of newly synthesized fused indenopyrazolones. • Molecular docking studies of highly active compounds against α -amylase. An eco-friendly facile synthesis of a series of twenty 1-(4/6-substitutedbenzo[ d ]thiazol-2-yl)-3-(phenyl/substitutedphenyl)indeno[1,2- c ]pyrazol-4(1 H)-ones 7a–t was achieved by the reaction of 2-(benzoyl/substitutedbenzoyl)-(1 H)-indene-1,3(2 H)-dione 3a–t and 2-hydrazinyl-4/6-substitutedbenzo[ d ]thiazole 6a–t in presence of freshly dried ethanol and glacial acetic acid under reflux conditions in good yields. The newly synthesized derivatives were well characterized using different physical and spectral techniques (FTIR, 1H NMR &13C NMR, and HRMS). All the compounds were subjected to assess their in vitro α -amylase and glucose diffusion inhibitory activity. Amongst them, the compounds 7i and 7l showed better α -amylase inhibitory activity demonstrating IC 50 values of 92.99±1.94 µg/mL and 95.41±3.92 µg/mL, respectively in comparison to the standard drug acarbose (IC 50 value of 103.60±2.15 µg/mL). The derivatives 7d and 7k exhibited good glucose diffusion inhibition with values of 2.25±1.16 µg/mL and 2.63±1.45 µg/mL, respectively with standard reference acarbose (2.76±0.55 µg/mL). The observed α -amylase inhibitory activity findings were corroborated through molecular docking investigations, particularly for the highly active compounds 7i (binding energy −8.0 kcal/mol) and 7l (binding energy −8.2 kcal/mol) respectively, in comparison to acarbose with a value of binding energy −6.9 kcal/mol for α -amylase. [ABSTRACT FROM AUTHOR]

Abstract: A series of analogues of andrographolide, prepared through chemo-selective functionalization at C14 hydroxy, have been evaluated for in vitro cytotoxicities against human leukemic cell lines. Two of the analogues (6a, 9b) exhibited significant potency. Preliminary studies on structure–activity relationship (SAR) revealed that the α-alkylidene-γ-butyrolactone moiety of andrographolide played a major role in the activity profile. The structures of the analogues were established through spectroscopic and analytical data [Copyright &y& Elsevier]

Synthesis of 3,4,5-triheterocyclyl-2,6-dicyanoanilines, starting from heterocyclic aldehydes and 1,2-diheterocycle-substituted ethanones, is described. 2,6-Dicyanoanilines with one or two heterocyclic substituents have also been synthesized. It was found that some of these molecules have selective cell-staining properties useful for cell imaging applications. The compounds 1 g, 10f and 11 were found to stain cytoplasm of the cells in contact but not the nucleus while the compound 12 showed affinity to apoptotic cells resulting in blue fluorescence. The cell imaging results with compound 12 were similar to Annexin V-FITC, a known reagent containing recombinant Annexin V conjugated to green-fluorescent FITC dye, used for detection of apoptotic cells. These compounds were found to be non-cytotoxic and have potential application as cell imaging agents. [ABSTRACT FROM AUTHOR]

Abstract: Two new series of benzimidazole bearing oxadiazole[1-(1H-benzo[d]imidazol-2-yl)-3-(5-substituted-1,3,4-oxadiazol-2-yl)propan-1-ones (4a–l)] and triazolo-thiadiazoles[1-(1H-benzo[d]imidazol-2-yl)-3-(6-(substituted)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)propan-1-one (7a–e)] have been synthesized successfully from4-(1H-benzo[d]imidazol-2-yl)-4-oxobutanehydrazide (3) with an aim to produce promising anticancer agents. In vitro anticancer activities of synthesized compounds were screened at the National Cancer Institute (NCI), USA, according to their applied protocol against full NCI 60 human cell lines panel; results showed good to remarkable anticancer activity. Among them, compound (4j, NCS: 761980) exhibited significant growth inhibition and further screened at 10-fold dilutions of five different concentrations (0.01, 0.1, 1, 10 and 100μM) with GI50 values ranging from 0.49 to 48.0μM and found superior for the non-small cell lung cancer cell lines like HOP-92 (GI50 0.49, TGI 19.9,LC50 >100 and Log10GI50 −6.30, Log10TGI −4.70, Log10LC50 >−4.00). [Copyright &y& Elsevier]

A green chemistry approach has been developed for the synthesis of chromene dihydropyrimidinone (CDHPM) using recyclable Fe/Al pillared clay catalyst. Pharmacokinetic parameters like aqueous solubility, lipophilicity, P-glycoprotein (P-gp) ATPase activity, permeability, plasma protein binding, red blood cell (RBC) partitioning, metabolic stability in liver microsomes and in silico computations have been studied for the most potent anticancer chromene dihydropyrimidinone hybrid 1. This compound exhibited low solubility, optimum lipophilicity, no P-gp inhibitory activity, intermediate permeability, high plasma protein binding, low RBC partitioning, acceptable metabolic stability in rat liver microsomes (RLM) as well as human liver microsomes (HLM) with transitional hepatic extraction ratio. [ABSTRACT FROM AUTHOR]