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A new pyrazoline derivative, 1‐[5‐(4‐bromophenyl)‐3‐(6‐methoxypyridine‐3‐yl)‐4‐5‐dihydro‐1H‐pyrazol‐1‐yl]‐ethane‐1‐one (BMDP) was synthesised using chalcone derivative. The FTIR, 1HNMR, and mass spectral analysis were performed to validate the synthesised compound. The electrochemical impedance spectroscopy and potentiodynamic polarization techniques were performed to evaluate BMDP as a corrosion inhibitor for mild steel. The corrosion inhibition was observed to rise with an increase in BMDP concentration and decline with an increase in temperature. The maximum inhibition efficiency of 91.1 % was reported at 303 K in 40 ppm of BMDP concentration. Activation and adsorption parameters were found with statistical thermodynamic calculations. The surface investigation of the metal surface was performed by SEM, AFM and EDX techniques. UV‐visible spectroscopy was used to realise the inhibitor‐metal complex formation. The quantum chemical computations were performed by density functional theory using Gaussian 16 software, and the theoretical calculations confirm the outstanding anticorrosive property of BMDP at the diminutive level as analysed in electrochemical studies. [ABSTRACT FROM AUTHOR]

A new series of halogenated 4-thiazolidinone derivatives bearing the sulfonamide moiety was synthesized and characterized via FT-IR, 1H NMR, 13C NMR, HRMS and single crystal X-ray analysis. The newly synthesized target compounds were screened for their in vitro cytotoxicity on the HepG2 and MDA-MB-231 cell lines, and antimicrobial and antitubercular activity. The compounds showed promising anticancer activity towards the MDA-MB-231 cell line, and the trichloro derivatives with p-chloro substitution (6i) and p-hydroxy substitution (7e) exhibited excellent anticancer activity. Compounds 6b and 7c were observed to be moderate antimicrobial agents. The seven most potent anticancer agents were further studied for their antitubercular activity against an M. tuberculosis strain and it was found that compound 7e showed significant antitubercular activity. The potent candidates were also tested for hemolysis activity against human RBC cells and were found to be non-toxic. The mode of action for the observed anticancer activity was further supported by molecular docking studies of the potent compounds against the enzyme Aurora kinase (PDB ID: URL URL="HTTP://XLINK.RSC.ORG/?PDB=4ZTR"4ZTR/URL). Molecular dynamics (MD) simulations were further performed to study the stability of the ligand–protein complex. [ABSTRACT FROM AUTHOR]