Docking score

A numerical value representing the predicted binding affinity in molecular docking studies.

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Synthesis QSAR (quantitative structure-activity relationship) Heterocyclic compounds In vitro Derivatives Molecular docking Biological activities Mass spectrometry (MS) Pharmacophore Cytotoxicity binding affinity antimicrobial agents Minimum inhibitory concentration (MIC) HPLC (high-performance liquid chromatography) NMR (nuclear magnetic resonance) Enantiomeric purity Enzyme inhibition in vivo In vitro Testing In Vivo Testing Biological Evaluation Lead Optimization Zone of Inhibition Virtual Screening Resistance Structure-Activity Relationship (SAR) Antiviral Activity Enzyme Kinetics Drug Resistance Drug Repurposing Chirality MIC Determination Thiazole Bioavailability Mycobacterium tuberculosis In Silico Studies Antitubercular Agents Metabolic Stability Antifungal Activity Scaffold Hopping Toxicity Profile Bioisosteres Heterocyclic compound SAR (Structure-Activity Relationship) Quinazolinones DFT (Density Functional Theory) Docking simulation Gram-positive bacteria Bioisostere Gram-negative bacteria

Chemical Baike