Computational Evaluation of Heterocyclic Steroids: Physicochemical and Pharmacoki-netic Insights | ||
| Records of Pharmaceutical and Biomedical Sciences | ||
| Volume 9, Issue 3, March 2025, Pages 8-17 PDF (742.68 K) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/rpbs.2025.359526.1356 | ||
| Authors | ||
| Shadeed Gad* 1; Fouad Bardi2; Mohammed Amran3; Norehan Ghourab4; Mohamed Tantawy5; Hossam elsawy6 | ||
| 1Faculty of Pharmacy - Suez Canal University | ||
| 2Ministry of Health, Kingdom of Saudi Arabia | ||
| 3Department of Pharmacy, Faculty of Health Sciences, Thamar University, Thamar 87246, Yemen | ||
| 4Medical Union Pharmaceutical Company, Abu Sultan, Ismailia, Egypt. | ||
| 5Hormones Department, Medical Research and Clinical Studies Institute, National Research Centre, Dokki, Giza 12622, Egypt | ||
| 6Department of Pharmaceutics and Pharmaceutical Technology, Faculty of Pharmacy, Egyptian Russian University, Badr City, Cairo, Egypt | ||
| Abstract | ||
| Cancer remains a significant global health challenge, driving the need for novel therapeutic agents with enhanced efficacy and reduced side effects. Steroidal compounds, particularly those incorporating heterocyclic rings, have shown promise in anticancer drug development due to their structural versatility and biological activity. This study employs in silico analysis using SwissADME to evaluate the physicochemical and pharmacokinetic properties of two novel heterocyclic steroidal derivatives, Cpd 8 and Cpd 14. Both compounds adhere to Lipinski's rule of five, indicating favorable drug-likeness and bioavailability scores. However, their high lipophilicity and poor water solubility may limit oral bioavailability. Pharmacokinetic predictions reveal differences in gastrointestinal absorption, with Cpd 14 exhibiting higher absorption than Cpd 8. Both compounds show no blood-brain barrier permeability, reducing the risk of central nervous system-related side effects. Additionally, metabolic stability assessments indicate potential interactions with cytochrome P450 enzymes, which could influence their therapeutic efficacy. While these findings highlight the potential of Cpd 8 and Cpd 14 as orally active anticancer agents, their low solubility and metabolic interactions underscore the need for structural optimization or formulation strategies to enhance bioavailability. This study provides valuable insights into the pharmacokinetic profiles of these compounds, serving as a foundation for further experimental validation and development of steroid-based anti-cancer therapies. | ||
| Keywords | ||
| Heterocyclic Steroids: ADME Analysis; Lipinski's Rule; Bioavailability | ||
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