Synthesis of novel 4‐(1‐(2‐cyclopropylphenyl)‐2‐(4‐substituted‐1H‐1,2,3‐triazol‐1‐yl)ethyl)morpholine analogues were demonstrated by conventional synthetic procedures. The structure of all the newly synthesized compounds were determined by 1H‐NMR, 13C‐NMR, HRMS and CHN analysis. Cytotoxicity of all synthesized compounds were tested against MCF‐7 Cell lines in different concentrations. The IC50 value of compounds was calculated using graph Pad Prism Version5.1. 4‐chloro substituted analogue exhibited superior result than the standard reference Doxorubicin drug. Compounds which are containing 3‐methoxy, 2‐methoxy and 4‐methoxy substituents showed a moderate effect, and 2‐chloro, 3‐triflouromethyl and 2‐methyl substituted analogues showed lower results. Molecular docking studies performed on the crystal structure of human estrogen receptor alpha ligand‐binding domain with all molecules and are well in agreement with cell line studies. The predicted pharmacokinetics support that these compounds have more drug‐likeness properties.

A library of twelve hybrid molecules containing Indole-Thiazolidinedione-Triazole moieties were synthesized by following a series of N-benzylation, Knoevenagel condensation and click chemistry reactions. The structure of novel molecules confirmed by spectral analysis data of 1 H-NMR, 13 C-NMR and LC-MS. All the compounds screened for their anticancer activity against the human liver cancer HePG-2, human colorectal cancer HCT-116, human prostate cancer PC-3, and human breast cancer MCF7 cell lines. MTT assay protocol was em-ployed and calculated IC 50 value of all compounds. Doxorubicin was used as standard drug. m-acetylphenyl substituted compound 9 i specified outstanding activity against four cell lines compared to doxorubicin. The p-acetylphenyl and p-nitrophenyl substituted compounds showed moderate activity against the same. Molecular docking studies were performed on EGFR, CDK2 and sorcin using Autodock Vina of PyRx tool. The binding energies and interactions acquired from docking results of compounds supported the investigational data.

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A series of new deoxybenzoin based bis 1,2,3‐triazole analogues were synthesized and reported in the present communication. Synthesis of analogues were accomplished by a convenient 3 step protocol incorporating Friedel craft acetylation, propargylation and copper‐catalyzed click chemistry in final step to afford 1,2,3‐triazole moiety. The title compounds were screened for antimicrobial activity against two gram positive bacteria viz. S. aureus, B. cereus and two gram negative bacteria viz. E. coli, P. aeruginosa, and three fungus viz. C. albicans, A. niger, A. flavus strains. Compound containing 4‐fluoro substitution (7a) showed slightly superior in‐vitro antimicrobial activity than reference drugs Ciprofloxacin and Fluconazole. SAR of developed hybrids with reference to antimicrobial activity was predicted and presented. In‐silico bioactivity is investigated by molecular docking studies against the crystal structures of glucosamine‐6‐phospate synthase (PDB ID: 2VF5) and secreted aspartic proteinase (PDB ID: 2QZW) which endorsed good binding interactions.