Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
Pharit KamsriChayanin HanwarinrojNaruedon PhusiThimpika PornpromKampanart ChayajarusAuradee PunkvangNitima SuttipantaPotjanee SrimanoteKhomson SuttisintongChomphunuch SongsiriritthigulPatchreenart SaparpakornSupa HannongbuaSiriluk RattanabunyongSupaporn SeetahaKiattawee ChoowongkomonSanya SureramPrasat KittakoopPoonpilas HongmaneePitak SantanirandZhaoqiang ChenWeiliang ZhuRosemary A. BloodYuiko TakebayashiPhilip HinchliffeAdrian J. MulhollandJames SpencerPornpan PungpoPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- x ray
- virtual screening
- x ray images
- intraoperative
- digital x ray images
- drug discovery
- tomographic images
- multi agent systems
- medical imaging
- biological data
- three dimensional
- metal oxide
- projection images
- chemical structures
- transmission electron microscopy
- high throughput
- similarity searching
- feature selection
- high speed
- bayesian networks
- real time