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@article{196650,
        author = {Shailendra Sanjay Suryawanshi and Veena Vithal Patil and Tanvi Shrikant Bamburge and Ronak Joy Dsouza},
        title = {Computer-Aided Screening and Evaluation of Drug-Likeness Properties of Kalanchoe pinnata (Lam.) Pers. Phytomolecules},
        journal = {International Journal of Innovative Research in Technology},
        year = {2026},
        volume = {12},
        number = {11},
        pages = {3142-3147},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=196650},
        abstract = {The current study focuses on the computational assessment of drug-like characteristics in 56 phytochemicals extracted from Kalanchoe pinnata (Lam.) Pers. The MolSoft web server was used to analyse drug-likeness using Lipinski's Rule of Five (LRF), which included parameters such as molecular weight (MW), lipophilicity (CLogP), hydrogen bond donors (HBD), hydrogen bond acceptors (HBA), number of rule violations, and drug-likeness score (DLS). The qualitative and quantitative research found that 27 chemicals had no violations, 24 had one violation, and only 5 had many violations. DLS readings varied from -2.07 to 1.06, with substances like bufalin, thiamine, rutin, and bersaldegenin-3-acetate scoring very positive. The study found flavonoids and phenolic acids to be interesting candidates for medication development and demonstrated the usefulness of computational screening in identifying drug-like compounds.},
        keywords = {Computer-Aided Drug Design, Drug Similarity, Kalanchoe pinnata, Lipinski's Rule of Five, Phytomolecules.},
        month = {April},
        }