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An eco‐friendly and one‐step microwave‐assisted green synthesis of new functionalized bisphosphonates derivatives was described by a three‐component reaction of aromatic sulfamide with triethyl orthoformate and diethyl phosphite. The synthesized compounds were characterized by 1H, 13C, 31P NMR and IR analysis. Some of these compounds were tested for in vitro anti‐inflammatory activity and showed moderate inhibition compared to diclofenac as standard drug. Furthermore, to rationalize the observed biological data, several in silico approaches have been used to explain Structure‐Activity Relationship study (SAR) based on DFT calculation, molecular docking, pharmacodynamic, pharmacokinetic and toxicity profiles of sulfamide‐containing bisphosphonates derivatives as anti‐inflammatory drugs. The results of the in vitro and in silico activities prove that the compound 4 b have the ideal structural requirements for further development of novel anti‐inflammatory agents.

Some new benzoxazinonylhydrazone analogs derived from substituted benzaldehydes and benzoxazin-3(4H)-one pharmacophore have been synthesized by simple and efficient methods, using ultrasound (US) irradiations as well as conventional thermal heating (CTH). The treatment of the benzoxazinonylhydrazide (3) with the corresponding aromatic aldehyde, resulted in the formation of benzoxazinonylhydrazones (4a–4f) in good yields and short reaction times. The proposed structures of the obtained hydrazone compounds were identified and elucidated on the basis of FT-IR and nuclear magnetic resonance (1H-NMR and 13C-NMR) spectroscopy. The synthesized compounds were screened in vitro for their antibacterial and antifungal activities against three types of bacteria (S. aureus, E. coli, P. aeruginosa) and one type of fungi (C. albicans), respectively, by disc diffusion method. All of these hydrazone compounds exhibited remarkable antifungal activity and very moderate antibacterial activity.