In Silico Prioritisation of Similarity-Selected Small Molecules Targeting the IsdB NEAT Domain of Staphylococcus aureus as a Potential Antivirulence Strategy
Warinda Prommachote, Manu Deeudom, Hridek Manimaran, Jittasak Khowsathit, Pimpisid Koonyosying, Bishant Pokharel, Yuvaraj Ravikumar, Somdet Srichairatanakool · 2026
Read In Silico Prioritisation of Similarity-Selected Small Molecules Targeting the IsdB NEAT Domain of Staphylococcus aureus as a Potential Antivirulence Strategy by Warinda Prommachote, Manu Deeudom, Hridek Manimaran, Jittasak Khowsathit, Pimpisid Koonyosying, Bishant Pokharel, Yuvaraj Ravikumar, Somdet Srichairatanakool (2026) 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/PMC13362405.txt.
Description
Warinda Prommachote and co-authors offer a 2026 computer-based study that hunts for new ways to weaken Staphylococcus aureus, a germ that often resists standard drugs. Instead of killing the germ, their plan blocks a surface protein it uses to grab iron from blood. They screened look-alike small molecules on a computer and ranked how well each one fit that protein.
Two lead molecules bound the target tightly and stayed stable in long computer runs that mimic real motion. Both passed basic drug-like checks, but one showed more risk signs for the liver, heart, and kidneys. The authors flag the safer one as the better pick, while stressing that lab tests must confirm these computer results.
Catalog record
| CREATOR | Warinda Prommachote, Manu Deeudom, Hridek Manimaran, Jittasak Khowsathit, Pimpisid Koonyosying, Bishant Pokharel, Yuvaraj Ravikumar, Somdet Srichairatanakool |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 36506 |
| LICENSE | https://creativecommons.org/licenses/by/4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |