Computational Structural Calculation of N-Methyl Benzothiazolium Iodide as an Antifungal Candidate
Sohail Nadeem1, Muhammad Aziz2*, Ayesha Mohy ud Din1 and Tayyaba Jamil1
1Chemistry Department, School of science, University of Management and Technology Lahore, Pakistan; 2Institute of Biochemistry, University of Balochistan, Quetta, Pakistan.
*Correspondence | Muhammad Aziz, Institute of Biochemistry University of Balochistan, Quetta, Pakistan; Email:
[email protected]
Figure 1:
Structure of N-Methyl benzothiazolium iodide.
Figure 2:
The I.R spectrum of N- methyl Benzothiazolium Iodide conformer calculated with B3LYP. The spectrum is plotted against frequency (x-axis) and intensities (y-axis).
Figure 3:
The Raman spectrum of N- methyl Benzothiazolium Iodide conformer calculated with B3LYP. The spectrum is plotted against frequency (x-axis) and intensities (y-axis).
Figure 4:
Show the interaction of N- methyl Benzothiazolium Iodide with lanosterol 14α-demethylase.