QSAR study on fluoroquinolone derivatives as potential antibacterial agents
Jufrizal Syahri, Suwantono, Hasmalina Nasution, Beta Achromi Nurohmah, Emmy Yuanita · AIP conference proceedings · 2020
Resistance to antibacterial drugs is a problem in the global public health that must be conquered immediately by finding new antibacterial drugs. This study has been carried out to rationally design fluoroquinolone derivative compounds as antibacterial using QSAR method. The basis set used for molecular optimization was semiempirical Austin Model 1 (AM1) and the statistical analysis used was multilinear regression (MLR). The best QSAR equation model obtained was Log MIC50 = 473.758 – 92.342 (qC9) + 461.068 (qO11) + 192.743 (qC16) – 277.851 (qC20) + 1004.598 (LUMO).