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<p>Computational calculations and molecular docking studies on 2-(2-ethylaminothiazol-5-oyl)benzothiazole</p><p> </p>

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Title Statement <p>Computational calculations and molecular docking studies on 2-(2-ethylaminothiazol-5-oyl)benzothiazole</p><p> </p>
 
Added Entry - Uncontrolled Name NIRMAL, FEMILA
Reji, T F Abbs Fen; Department of Chemistry and Research Centre, Nesamony Memorial Christian College, Marthandam 629 165, India
Rosy, Bojaxa A ; Department of Botany and Research Centre, Holy Cross College (Autonomous), Nagercoil 629 004, India
 
Uncontrolled Index Term DFT method, marine alkaloids, benzothiazole and molecular docking 
 
Summary, etc. <p>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.</p><p> </p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section B (IJC-B)
2021-02-15 15:57:41
 
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http://op.niscair.res.in/index.php/IJCB/article/view/30557
 
Data Source Entry Indian Journal of Chemistry -Section B (IJC-B); ##issue.vol## 60, ##issue.no## 2 (2021): Indian Journal of Chemistry Section - B (IJCB)
 
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