Metal–organic frameworks encapsulated with an anticancer compound as drug delivery system: Synthesis, characterization, antioxidant, anticancer, antibacterial, and molecular docking investigation

Abstract Metal organic framework (MOF) hybrid materials could be one of the answers in this investigation. We describe a simple and effective encapsulation of doxorubicin (DOX), an anticancer drug, inside Zr‐MOF, which have been little studied as drug delivery organizations. We investigated the measured release of the drug from Zr‐MOF in response to external incentives such as pH changes and interaction with biomimetic schemes. Zr‐MOF with encapsulated doxorubicin (DOX@Zr‐MOF) can be manufactured in one pot by addition the anticancer medication DOX to the reaction combination. They demonstrated pH‐responsive medication release and cancer cell killing capability. MOFs can be designed as multifunctional distribution vehicles for a diversity of loads, including medicinal and imaging agents, using our simple one‐pot approach. Fourier transform infrared (FTIR), X‐ray diffraction, scanning electron microscopy, and N 2 sorption isotherm were used to analyze MOF and the developed drug delivery (DOX@Zr‐MOF) scheme. It investigated the effects of MOF and a bespoke drug delivery system on the feasibility of patient breast as well as liver tumor cell lines. At pH 5, the trapped drug can be released more quickly than at pH 7.4. Zr‐MOF nanoparticles had modest cytotoxicity; however, DOX@Zr‐MOF has higher cytotoxicity in MCF‐7 and HepG‐2 cells than DOX at concentrations greater than 31.25 μg ml −1 . These results were discovered that DOX@Zr‐MOF could be a promising technique for delivering medicines to cancer cells. Furthermore, using the agar well dispersion technique, Zr‐MOF, DOX, and captured DOX@Zr‐MOF samples were assessed for their potential antibacterial activity against pathogenic bacteria in comparison to traditional antibiotics. In compared to the reference medication Gentamycin, the DOX@Zr‐MOF exhibits a large inhibitory zone against Gram negative organisms ( Escherichia coli ). The docking active place interactions were assessed to see if DOX might bind to the breast cancer 3hb5‐oxidoreductase receptor, prostate cancer protein 2q7k, and SARS‐CoV‐2 protease 6YB7 for anticancer and anticovid‐19 activities.