Virtual screening studies on bone healing phytochemicals isolated from Cissus quadrangularis (round variant) and Cissus rotundifolia

Bone fractures are a prevalent orthopaedic issue that many people experience. While the body can naturally repair a broken bone, the duration of the healing process can range from weeks to years, depending on the injury's severity and potential complications. Different techniques are used in the process of bone healing, including both experimental and computational modeling methods. Computational modeling and simulation have been used to address the limitations of experimental methods. This study focuses on screening and investigating bone healing compounds found in the leaves of Cissus rotundifolia and the stem of Cissus quadrangularis (round-stemmed variant) using molecular docking studies to identify potent compounds for bone healing treatment. GC-MS analysis revealed two active compounds: alpha-methylglucofuranoside and tetradecanoic acid. These compounds were tested against the bone healing protein ABMP2 (ID: 4MID) sourced from the Protein Data Bank (PDB) and showed good docking scores and reasonable stability. In vivo and in-vitro approaches are recommended to further elucidate the molecular mechanisms of these compounds and develop them into potent drugs for treating bone fractures. The present study clearly observed with the screened compounds could possibly develop into potent drugs for treating bone fractures.