Liu, Tianjun |  Meng, Jianzhou... -  《Tuberculosis》 - 2025,150 - 102579～102579 - 共7页

摘要：-TB drugs, and Pks13 was identified as a crucial |  action of recognized Pks13 inhibitors differ from |  traditional anti-TB medications, highlighting Pks13 as a |  activity of Pks13 with a 6.94 mu M IC50 value. The |  binding between BMVC-8C3O and Pks13 was validated

关键词： Tuberculosis |  Pks13 inhibitor |  Anti-TB drugs

Zhang, Xuan |  Lun, Shichun... -  《European Journal of Medicinal Chemistry》 - 2025,283 - 117148～117148 - 共11页

摘要： structures of the Pks13-TE-inhibitor complex provide |  of novel antitubercular drug development. Pks13-TE | Targeting the biosynthetic pathway of mycolic |  acid is highly attractive to researchers in the field |  is an essential catalytic component in the last

关键词： Pks13 inhibitor |  N -Aryl indole |  Structure-guided optimization |  Antitubercular agents

Cai, Yu-Xiang |  Chen, Jun-Xian... -  《Future medicinal chemistry》 - 2024,16(5) - 453～467 - 共15页

摘要：. Compound 19, the most potent, might be an inhibitor of |  Pks13 polyketide synthase. Conclusion: This study |  that compound 19 is a novel inhibitor of a key enzyme | Aim: To discover novel anti-Mycobacterium |  tuberculosis (Mtb) drugs, 19 compounds were synthesized

关键词： Mycobacterium tuberculosis |  Schiff base hybrids |  synthesis |  MYCOBACTERIUM-TUBERCULOSIS |  RESISTANCE |  EMERGENCE |  ASSAY

Wang, Shizun |  Luan, Jiasi... -  《Computational biology and chemistry》 - 2023,104 - ARTN 107864～ - 共13页

摘要：Multiple studies have established the Pks13-TE |  lead compound currently in the pipeline for Pks13-TE |  pressing need for new chemical structures for Pks13-TE |  understanding of the Pks13-TE domain binding site through the |  Pks13-TE domain binding pocket, key residues including

关键词： Tuberculosis |  Pks13-TE domain |  Structure-activity relationship |  Binding mode modeling |  Molecular dynamics simulation |  PROTEIN |  IDENTIFICATION |  DERIVATIVES |  DYNAMICS |  DOCKING...

N. Babu |  R. Raju... -  《Anti-infective agents》 - 2023,21(1) - 60～72 - 共13页

摘要： protein Mtb Pks13 Thioesterase domain in complex with an |  inhibitor, docking analysis of the final compounds was | Background: Tuberculosis is a highly |  contagious disease that is one of the major causes of |  mortality worldwide and the leading infectious organism

关键词： Antitubercular |  ADME |  Tetrahydrotetrazolo[5 |  1 –b] Quinazoline–8(4H)–one |  docking |  H37RV strain |  teratogenicity |  zebrafish larvae.

Sakallioglu, Isin T. |  Maroli, Amith S.... -  《Journal of the American Chemical Society》 - 2022,144(46) - 21157～21173 - 共17页

摘要： that of ethionamide (ETH), a mycolic acid inhibitor |  essential polyketide synthase Pks13 and the associated | The mechanism of action (MoA) of a clickable |  fatty acid analogue 8-(2-cyclobuten-1-yl)octanoic acid |  (DA-CB) has been investigated for the first time

关键词： MYCOLIC ACIDS |  NMR METABOLOMICS |  DRUG-RESISTANCE |  CELL-WALL |  IN-VIVO |  BIOSYNTHESIS |  SYNTHASE |  ETHIONAMIDE |  DISCOVERY |  IDENTIFICATION

Lun, Shichun |  Xiao, Shiqi... -  《Antimicrobial agents and chemotherapy.》 - 2021,65(5) - 共8页

摘要：Polyketide synthase 13 (Pks13) is an important |  of Pks13. These compounds were active on both drug |  enzyme found in Mycobacterium tuberculosis that |  condenses two fatty acyl chains to produce alpha-alkyl |  beta-ketoesters, which in turn serve as the

关键词： chemotherapy |  Mycobacterium tuberculosis |  Pks13 inhibitor |  mouse model

Goins, Christopher M... |  Sudasinghe, Thanuja ...... -  《Biochemistry》 - 2018,57(16) - 2383～2393 - 共11页

摘要： inhibitor of many serine esterases. In mycobacteria, THL |  synthase 13 (Pks13-TE) also leads to hydrolytic turnover |  crystal structures of Ag8SC, Rv3802, and Pks13-TE | Tetrahydrolipstatin (THL) is a covalent |  has been found to covalently react with 261 lipid

Aggarwal, Anup |  Parai, Maloy K.... -  《Cell》 - 2017,170(2) - 249～+ - 共36页

摘要： lead, TAM16, is a benzofuran class inhibitor of Pks13 |  thioesterase activity of polyketide synthase Pks13, an | Widespread resistance to first-line TB drugs |  is a major problem that will likely only be |  resolved through the development of new drugs with novel

Obadawo, Babatunde S... |  Halicki, Priscila Cr...... -  《acs infectious diseases》 - 2025,11(6) - 1460～1472 - 共13页

摘要： as a potent inhibitor of Pks13 through interaction | Pks13, an essential enzyme for Mycobacterium | ) scaffold that was determined to target the Pks13 TE |  mutations mapping to the TE domain of Pks13 in |  tuberculosis (Mtb) cell wall biosynthesis, represents a

关键词： Pks13 inhibitors |  benzoxazole derivatives |  scaffoldhopping |  Mycobacterium tuberculosis ( Mtb ) |  structure-activity relationships(SAR) |  antitubercular therapy |  MYCOBACTERIUM-ABSCESSUS |  BIOSYNTHESIS |  ANTICANCER