QSAR study on fluoroquinolone derivatives as potential antibacterial agents

Authors : Jufrizal Syahri; Emmy Yuanita; Suwantono; Hasmalina Nasution; Beta Achromi Nurohmah
article cite 2 Year 2020
source: AIP conference proceedings
Abstract

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).


Concepts :
Computational Drug Discovery Methods
Synthesis and biological activity
Medicinal Plant Research
article cite 2 Year 2020 source AIP conference proceedings
Access to Document
10.1063/5.0001076
SDGs
Good health and well-being
Citations by Year
YearCount
2020 2