The details of shortlisted 29 test compounds with IUPAC names, ligand binding affinity (Kcal/mol) and ligand-protein interaction with LasR protein (PDB ID 2UV0) of shortlisted 29 test compounds.

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posted on 2025-04-22, 17:32 authored by Snigdha Bhardwaj, Kandasamy Nagarajan, Halima Mustafa Elagib, Sadaf Anwar, Mohammad Zeeshan Najm, Tulika Bhardwaj, Mohd Adnan Kausar

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screened using pharmacokinetic combating bacterial infections density functional theory active area well novel thiazoles utilizing lasr binding site reference compound tc reference thiazole molecule lasr protein ’pseudomonas aeruginosa compound d_152 ’potential lasr inhibitors protein ’pseudomonas aeruginosa aeruginosa compound d_152 potential inhibitors electron density d_152 ’binding interactions active region lasr receptor lasr antagonist aeruginosa )zinc database would speed virulence factors transcriptional factor toxicology studies thiazole derivatives therapeutic development tc ).take place resilient pathogen quorum sensing promising target promising strategy pharmacophoric characteristics nearly identical molecular simulation inhibitor ligands findings indicated facilitates cell docked inside diverse array derivative d_152 crucial understanding complete set closely linked cell interaction based investigation 800 molecules

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The details of shortlisted 29 test compounds with IUPAC names, ligand binding affinity (Kcal/mol) and ligand-protein interaction with LasR protein (PDB ID 2UV0) of shortlisted 29 test compounds.

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