In Silico Evaluation of Some Computer-Designed Fluoroquinolone–Glutamic Acid Hybrids as Potential Topoisomerase II Inhibitors with Anti-Cancer Effect
Octavia-Laura Oancea, Șerban Andrei Gâz, Gabriel Marc, Ioana-Andreea Lungu, Aura Rusu · 2024
Read In Silico Evaluation of Some Computer-Designed Fluoroquinolone–Glutamic Acid Hybrids as Potential Topoisomerase II Inhibitors with Anti-Cancer Effect by Octavia-Laura Oancea, Șerban Andrei Gâz, Gabriel Marc, Ioana-Andreea Lungu, Aura Rusu (2024) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-11679884.txt.
Description
Octavia-Laura Oancea and co-authors designed anticancer hybrids on computer in two thousand twenty-four. Fluoroquinolones are antibiotics that block a DNA enzyme. That same enzyme is a known cancer drug target. Glutamic acid tweaks how molecules behave in the body. Joining the two could yield new cancer agents. Twenty-seven hybrid designs were built in software.
Six antibiotic bases were linked to the amino acid. Linkers and positions varied across the designs. A related acid form was also modeled. Software predicted body handling and toxicity traits. Docking tested fit to the target enzyme. A proven cancer drug served as the yardstick. Promising hybrids can now be synthesized for lab tests.
Catalog record
| CREATOR | Octavia-Laura Oancea, Șerban Andrei Gâz, Gabriel Marc, Ioana-Andreea Lungu, Aura Rusu |
|---|---|
| YEAR | 2024 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 87 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |