title: Structure-guided discovery of 1,3,5-triazine-pyrazole conjugates as antibacterial and antibiofilm agent against pathogens causing human diseases with favorable metabolic fate.
abstract: Impressed by the exceptional antibacterial activity exhibited by our earlier designed molecules originating from 1,3,5-triazine, the present study was undertaken to synthesize a novel series of 1,3,5-triazine-pyrazole conjugates to bring diversity around the core skeleton. The target analogues showed potent antibacterial activity against tested Gram-positive and Gram-negative microorganisms. The toxicity and metabolic site prediction studies were also held out to set an effective lead candidate for the future antibacterial drug discovery initiatives.
authors: Drug Design & Discovery Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture, Technology & Sciences, Formerly Allahabad Agricultural Institute, Deemed University, Allahabad 211007, India.
authors: Babita
authors: B
authors: Singh
authors: Drug Design & Discovery Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture, Technology & Sciences, Formerly Allahabad Agricultural Institute, Deemed University, Allahabad 211007, India.
authors: Hans Raj
authors: HR
authors: Bhat
authors: Anand College of Pharmacy, Agra 282007, India.
authors: Mukesh Kumar
authors: MK
authors: Kumawat
authors: Drug Design & Discovery Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture, Technology & Sciences, Formerly Allahabad Agricultural Institute, Deemed University, Allahabad 211007, India. Electronic address: udaysingh98@gmail.com.
authors: Udaya Pratap
authors: UP
authors: Singh
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology*; D018441:Biofilms / Q000187:drug effects*; D004305:Dose-Response Relationship, Drug; D055808:Drug Discovery; D006090:Gram-Negative Bacteria / Q000187:drug effects*; D006094:Gram-Positive Bacteria / Q000187:drug effects*; D006801:Humans; D008826:Microbial Sensitivity Tests; D015394:Molecular Structure; D011720:Pyrazoles / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology*; D013329:Structure-Activity Relationship; D014227:Triazines / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology*
chemical_list: D000900:Anti-Bacterial Agents; D011720:Pyrazoles; D014227:Triazines
keywords: 1,3,5-Triazine; Antibacterial; In silico studies; Pyrazole