Exploring Anti-Angiogenic Potential of 1, 3, 4-Oxadiazole Derivatives of Substituted Benzoyl Chloride Via Swissadme Tool
Year: 2025
Type: article
Abstract: Anti-angiogenic therapy, a traditional strategy in cancer treatment, functions by restricting the formation of new blood vessels, thereby cutting off the supply of oxygen and nutrients to tumor cells. It primarily targets the vascular endothelial growth factor (VEGF) pathway, helping to suppress angiogenesis and improve the outcomes of immunotherapy. The development of novel anti-angiogenic agents is crucial for advancing cancer therapy, and in silico tools have become essential for accelerating the drug discovery process. In this study, ten 1,3,4-oxadiazole derivatives of substituted benzoyl chloride were evaluated for their drug-likeness and pharmacokinetic properties using the Swiss ADME web tool. Key physicochemical descriptors—including molecular weight, topological polar surface area, hydrogen bonding capacity, lipophilicity, and molecular flexibility were assessed alongside drug-likeness filters such as Lipinski, Veber, and Muegge rules. All derivatives demonstrated favorable profiles, with minimal violations, no PAINS alerts, and moderate bioavailability scores (0.55). Despite minor alerts under Brenk and lead-likeness criteria, the compounds exhibited acceptable synthetic accessibility, suggesting good potential for further development. These findings highlight the utility of SwissADME in guiding the early-stage evaluation of drug-like properties, supporting the continued investigation of 1,3,4-oxadiazole scaffolds as promising candidates for anti-angiogenesis therapy.
Authors: Chaluvaraju K C, Vani S Kumbar, Swapna B, Arun Kumar H S, Gokul K
Institution: Government of Karnataka
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: hybrid
OpenAlex ID: W4413231073