4131 compounds  (TargetMol)

Journal: Frontiers in Microbiology

Article Title: Identification of a small molecule 0390 as a potent antimicrobial agent to combat antibiotic-resistant Escherichia coli

doi: 10.3389/fmicb.2022.1078318

Figure Lengend Snippet: Antimicrobial effects of 0390 against Escherichia coli . (A) Workflow of the in vitro high-throughput screening assay of the MINI Scaffold library, containing 5,033 MINI molecules. The OD value was determined by a microplate spectrophotometer. The structural formula and characteristics of a hit (hit compound), 0390 (6056–0390) were shown. H_acceptor: hydrogen bond acceptor count. H_donor: hydrogen bond donor count. B_rotN: rotatable bond count. LogP: oil- water partition coefficient. (B) Growth of E. coli ATCC 25922 after exposure to different concentrations of 0390 for 18 h. The experiment was repeated three times.

Article Snippet: Besides, all molecules in the MINI Scaffold Library were screened and filtered through their pharmaceutical and chemical properties, and adverse structures, such as toxicity and PAINS, were eliminated by TopScience, Shanghai, China.

Techniques: In Vitro, High Throughput Screening Assay, Screening Assay, Spectrophotometry

Journal: Frontiers in Microbiology

Article Title: Identification of a small molecule 0390 as a potent antimicrobial agent to combat antibiotic-resistant Escherichia coli

doi: 10.3389/fmicb.2022.1078318

Figure Lengend Snippet: Antimicrobial effects of 0390 against Escherichia coli . (A) Workflow of the in vitro high-throughput screening assay of the MINI Scaffold library, containing 5,033 MINI molecules. The OD value was determined by a microplate spectrophotometer. The structural formula and characteristics of a hit (hit compound), 0390 (6056–0390) were shown. H_acceptor: hydrogen bond acceptor count. H_donor: hydrogen bond donor count. B_rotN: rotatable bond count. LogP: oil- water partition coefficient. (B) Growth of E. coli ATCC 25922 after exposure to different concentrations of 0390 for 18 h. The experiment was repeated three times.

Article Snippet: Here, to identify novel antibacterial compounds with different structures from the conventional antibiotics, we screened MINI Scaffold Library (TopScience, L5600) containing 5,033 bioactive small-molecules and determined a novel small molecular compound, 0390, which was found effective alone or in combination with SPR741 to combat E. coli , including its standard strain and drug-resistant clinical isolates.

Techniques: In Vitro, High Throughput Screening Assay, Screening Assay, Spectrophotometry