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A New Class of Linezolid‐Based Molecules as Potential Antimicrobial and Antitubercular Agents: A Rational Approach
Author(s) -
Kushwaha Babita,
Kushwaha Narva Deshwar,
Parish Tanya,
Guzman Junitta,
Kajee Afsana,
Shaikh Mahamadhanif S.,
Kehinde Idowu,
Obakachi Vincent A.,
Pathan Tabasum Khan,
Shinde Suraj Raosaheb,
Karpoormath Rajshekhar
Publication year - 2021
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.202100493
Subject(s) - antimicrobial , linezolid , chemistry , candida albicans , lipinski's rule of five , adme , stereochemistry , combinatorial chemistry , staphylococcus aureus , in vitro , microbiology and biotechnology , bacteria , biochemistry , organic chemistry , biology , in silico , vancomycin , gene , genetics
A total of 19 linezolid‐based novel molecules ( 6 a – d , 8 a – d and 10 a – k ) were synthesized by utilizing a simple and convenient synthetic method. Structures of all the novel derivatives were established by 1 H, 13 C NMR, FT‐IR and mass spectroscopic methods. In addition, structural elucidation of some representative compounds by 19 F, 2D NMR and single crystal X‐ray experiment's ( 6 d and 8 b ) further confirmed the structures of the desired compounds. All the final compounds were evaluated for their in vitro antitubercular ( Mycobacterium tuberculosis H 37 RV strain), antibacterial ( S. aureus , B. subtilis , E. coli and P. aeruginosa ) and antifungal ( C. neoformans , C. albicans and A. niger ) activities. The docking study of most active compounds were also performed towards 50S ribosomal unit of Haloarcula marismortui . The Lipinski's rule of five and significant ADME pharmacokinetic parameters were also analysed indicating potential to develop good oral antimicrobial and antitubercular drug candidates.