AI Article Synopsis
- The study determined the lipophilicity parameters (log P) of 10 new anticancer dipirydothiazine compounds containing a 1,2,3-triazole ring using both theoretical models and experimental techniques.
- Experimental assessments utilized reversed-phase TLC with a mobile phase of TRIS buffer and acetone, revealing a linear correlation between retention and acetone volume, which helped classify the compounds into two main groups.
- The results indicated that these new derivatives have moderate lipophilicity and comply with established drug design rules (Lipinski's, Ghose's, and Veber's), making them potential candidates for further development in cancer treatment.
Article Abstract
The lipophilicity parameters (log, and log) of 10 new active anticancer dipirydothiazines with a 1,2,3-triazole ring were determined theoretically using computational methods and experimentally by reversed-phase TLC. Experimental lipophilicity was assessed using mobile phases (a mixture of TRIS buffer and acetone) using a linear correlation between the retention parameter and the volume of acetone. The parameter was correlated with the specific hydrophobic surface b, revealing two congenerative subgroups: 1,2,3-triazole-1,6-diazaphenothiazines and 1,2,3-triazole-1,8-diazaphenothiazines hybrids. The parameter was converted into the log lipophilicity parameter using a calibration curve. The investigated compounds appeared to be moderately lipophilic. Lipophilicity has been compared with molecular descriptors and ADME properties. The new derivatives followed Lipinski's, Ghose's and Veber's rules.
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|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8878114 | PMC |
| http://dx.doi.org/10.3390/molecules27041253 | DOI Listing |
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