Nirmal, N. S. Femila <br/><br/>
Computational calculations and molecular docking studies on 2-(2-ethylaminothiazol-5-oyl)benzothiazole 

 - Vol.60B(2), Feb. 
 - New Delhi  CSIR  2021 
 - 273-276p. 
<br/><br/> 2-(2-Ethylaminothiazol-5-oyl)benzothiazole has been synthesized and its bond length, bond angle, dihedral angle, HOMO-LUMO and Mulliken charges on the atoms have been calculated by density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis sets. Biological properties like the target receptor identification and identification of interacting residues, of this compound is identified and analyzed by using Openbabel GUI (C) software. 
<br/><br/><label>Subjects--Topical Terms: </label><br/>GENERAL CHEMISTRY