QSAR Study of Anti-Tubercular Agents
Author Information
Author(s): Shahlaei M., Fassihi A., Nezami A.
Primary Institution: Kermanshah University of Medical Sciences
Hypothesis
The study investigates the quantitative relationships between molecular structure and anti-tubercular activity of certain derivatives.
Conclusion
The study found a linear relationship between molecular descriptors and the inhibitory activity of the compounds.
Supporting Evidence
- The study utilized 49 derivatives to establish a QSAR model.
- Principal component analysis was used to reduce the dimensionality of the data.
- The developed model explained 73% of the variance in the training set.
Takeaway
The researchers looked at how the structure of certain compounds affects their ability to fight tuberculosis, and they found a way to predict this ability using math.
Methodology
The study used principal component regression (PCR) to analyze the relationship between molecular descriptors and biological activity.
Limitations
The study may be limited by the number of compounds analyzed and the specific descriptors chosen.
Statistical Information
Statistical Significance
p<0.05
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