N-(2-Chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide (3) was synthesized by reacting 4,4,4-trifluorobutanoic acid (1) with 2-amino-4-chlorobenzonitrile (2) in the presence of triethylamine and propylphosphonic anhydride in ethyl acetate. Character­ization of the compound was done by IR, 1H-NMR, 13C-NMR, LC-MS and CHN analysis

A series of ten 1,4‐Disubstituted 1,2,3‐Triazoles having 1‐benzhydrylpiperazine chemical scaffold were synthesized by one pot Cu (I) catalyzed click reaction and evaluated for their antibacterial activity against Escherichia Coli and Staphylococcus aureus by agar well diffusion method. Amongst all, 2‐chloro‐6‐fluorobenzyl substituted 1,2,3‐Triazole 7 e and 2,4‐dichlorobenzyl Triazole 7 f found to be more active compared to the Ciprofloxacin. To rationalize the binding interaction of compounds and the protein at active site, we performed Molecular docking study using a bacterial DNA Gyrase B protein. The docking energy of 2‐chloro‐6‐fluorobenzyl substituted Triazole 7 e and 2,4‐dichlorobenzyl Triazole 7 f was observed as −22.498 and −22.569 kcalmol−1 in comparison to reference drug Ciprofloxacin whose docking energy is −22.072 kcal mol−1. It also makes several hydrogen bonds with our conserved residue Ser55, Asp81 and Ile86. Furthermore, several hydrophobic contacts were also observed within the pocket. Finally, Latent fingerprint detection study indicated that the compound unsubstituted Triazole 7 a powder shows good adhesion and finger ridge details without back ground staining. The demonstrated method can be applied to detect fingerprints on all types of smooth surfaces and hence, it can be easily adopted for latent fingerprint detection. The in vitro and in silico activities conclusively revealed that our lead compounds may be used as a novel antibacterial agents.

A series of novel 1,2,4 triazole derivatives were synthesized by treating 4‐bromo‐2‐(4H‐1,2,4‐triazole‐3‐yl)aniline (4) with different substituted benzene sulfonyl chlorides 5(a‐f) and benzyl bromides 7(a‐e). IR, 1H‐NMR, 13C‐NMR, and mass analysis confirmed the structures of the newly synthesized compounds. All derivatives were screened for their in vitro antibacterial activity against two bacterial strains viz Escherichia coli and Staphylococcus aureus, antifungal activity against Aspergillus flavus and Candida albicans, anthelmintic activity against Pheretima posthuma and also cytotoxicity activity against MDA‐MB 231 and A375 cancer cell lines. It was found that some of the derivatives showed significant antibacterial, antifungal, anthelmintic, and cytotoxic activities when compared to respective standard drugs. Molecular docking studies have assisted the theoretical binding mode of the target molecules. Compounds were also explored for fingerprint application.

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In this work, some 2-phenyl quinoline-4-carboxamide derivatives (5a-j) were synthesized via base catalyzed Pfitzinger reaction of isatin and acetophenone followed by C-N coupling reaction using POCl3 and assessed them for their in vitro antimicrobial and anticancer activity. The structure of newly synthesized compound were established by FT-IR, 1H & 13C NMR and Mass spectrometric analysis. The synthesized carboxamides were subjected to preliminary in vitro antibacterial activity as well as for antifungal activity. Results of antibacterial activity were compared with standard antibacterial (ciprofloxocin) and antifungal (fluconozole). Among the tested compounds, 5d, 5f and 5h exhibited promising activity with zone of inhibition ranging from 10 to 25 mm. Further, the anticancer activity determined using MTT assay against two cancer cell lines. Compounds 5b, 5d, 5f and 5h showed good anticancer activity among all the other derivatives. In order to correlate the in vitro results, in silico ADME and Molecular docking studies were carried out for (5a-j). ADME properties results showed that all the compounds obey rule of Five rule except 5a, 5e and 5g compound. Molecular docking studies of the synthesized compounds showed good binding affinity through hydrogen bond interactions with key residues on active sites as well as neighboring residues within the active site of chosen target proteins viz. antibacterial, antifungal and anticancer. Comparison of both results of in silico as well as in vitro investigation suggests that the synthesized compounds may act as potential antimicrobial as well as anticancer agents.