Microwave Effects on Double‐Decomposition‐Produced Hydroxyapatite: X‐ray Diffraction, Infrared Spectroscopy, Hirshfeld Surface, and Molecular Docking Studies

Abstract The synthesis of apatitic tricalcium phosphate, Ca 9 (HPO 4 )(PO 4 ) 5 (OH), was carried out using the coprecipitation method, starting from appropriate calcium and phosphate precursors. This approach enables controlled stoichiometry and crystal phase formation, although promising due to its remarkable properties, remains limited by several technical challenges. The main obstacle lies in the difficulty of mastering its synthesis in order to obtain a pure compound, free from impurities that could alter its performance. In addition, its ability to restore or regenerate in biological applications remains relatively slow, which hinders its long‐term effectiveness, particularly in the field of regenerative medicine. Thus, despite its undeniable potential, hydroxyapatite is still seeking solutions that would overcome these obstacles and fully exploit its benefits in clinical settings. Microwave‐assisted synthesis is a relatively new approach used to reduce synthesis time and achieve a more homogeneous structure. In this study, we used this approach to produce TCPa, deficient hydroxyapatite and βTCP and their composite. The synthesized powders, dried at 37 °C, were characterized using various analytical techniques. XRD revealed the crystalline structure, while FT‐IR identified functional groups. TGA‐DTA assessed thermal stability and phase transitions. Microscopy allowed observation of morphology, and molecular docking evaluated biointeractions. Hirshfeld surface analysis (d norm , d i , d e , and fingerprint plots) helped understand intermolecular interactions. Finally, the molecule's potential antiviral activity was evaluated through molecular docking against HIV‐1 targets (PDB IDs: 1GC1 and 1HSG).