Progress in Chemical and Biochemical Research

MSRT, ISC, CAS,     h-index: 26

Quantum-chemical study of geometric and energy characteristics of some bases of shiff gossipol

Document Type : Original Research Article

Authors

Khaitbaev Kh. Alisher
Toshov S. Khamza
Yuldashev Sh. Ikbol

Department Chemistry of natural compounds, Faculty of Chemistry National University of Uzbekistan, Tashkent. Uzbekistan

10.33945/SAMI/PCBR.2019.2.15
Abstract
The most important aspect of modern chemistry lies in the fact that along with instrumental (physical) methods, computer modelling plays an increasing role in it. The role of molecular modelling in chemistry is quite large, despite the obvious priority of experimental research in this field of natural science. The most significant ones are theoretical results that are impossible, extremely difficult or too expensive to be obtained by experimental means.

Graphical Abstract

Quantum-chemical study of geometric and energy characteristics of some bases of shiff gossipol

Keywords

Gossypol
Tautomeric forms
X-ray diffraction analysis
Electron density
Energy characteristics
Semi empirical methods (RM1, PM6 and PM7)
MOPAC2012
Transition barrier

Subjects

[1] I. A. Samylina and G.P.Yakovlev, Pharmacognosy, 2013, Moscow. GEOTAR. Media, pp. 976
[2] N. I. Baram and A. I. Ismailov, Chemistry of Natural Compounds, 1993, 3, 334.
[3] A. I. Glushenkova and I. P. Nazarov, Gossypol, its derivatives and their use. 1993: Tashkent, Fan.
[4] M. A. Ashirmatov and N. D. Abdullaev, Chemistry of Natural Compounds, 1996, 2, 517.
[5] N. D. Abdullaev et al., Chemistry of Natural Compounds, 1990, 4, 166.
[6] G. B. Nazarov, B. T. Ibragimov, T. F. Aripov, Chemistry of Natural Compounds, 1988, 3, 661.
[7] J. P. Stewart. Mopac program package for Windows. www.openmopac.net.
Progress in Chemical and Biochemical Research
Volume 2, Issue 1
Winter 2019
Pages 1-5

  • Receive Date 12 January 2019
  • Revise Date 13 January 2019
  • Accept Date 20 January 2019

Home

A-Z Journals

Submit Manuscript

Indexing and Abstracting

Guide for Authors

Editorial Board

Contact Us

Using and Citation