In Silico ADME Screening and Evaluation of Antimicrobial and Antimycobacterial Activities of 3,5-Diphenyl Pyrazoline Derivatives

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Objective: The unconscious widespread use of antibiotics leads to the development of resistance to antibiotics. When resistance to an antibiotic develops, it now either shows less efficacy or loses its effect completely at that antibiotic treatment dose. While the development of resistance to antibiotics increases rapidly, the need for the development of new antibiotics rises every day. For this purpose, in this study, antimicrobial and antitubercular effects of some compounds in the pyrazoline structure were investigated. The physicochemical properties and drug-likeness of the compounds are quite important for determining whether a compound can be used as a drug or not. Physicochemical properties and drug-likeness of the synthesized compounds were evaluated and the relevance for Lipinski’s rules was determined. Material-Method: Drug-likeness properties of the synthesized compounds were determined using online Swiss ADME tool. Antitubercular activity is detected by microplate alamar blue assay. Antimicrobial activity is tested by microdilution method. Results: All compounds obeyed the Lipinski’s rules, some of with no violation, some of with one violation. Compounds B7, B10 and B11 provided Lipinski’s rules with one violation. Other compounds ensured Lipinski’s rules with no violation. All compounds were predicted to have high gastrointestinal absorption. As the compounds generally have high lipophilicity, it was predicted that all compounds except B12 can cross the blood brain barrier. Conclusion: Synthesized compounds were mostly found to be more effective against Enterococcus faecalis, Enterococcus faecalis isolate and Candida albicans. Compound B10 demonstrated the best antimicrobial activity against Enterococcus faecalis isolate with a 16µg/mL MIC value.