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Tuesday, June 27th, 2017
Table of Contents

1 Introduction
5 PMID
 [F] Diseases Research  / PubMed Research Articles  /
DFT/B3LYP calculations, in vitro cytotoxicity and antioxidant activities of steroidal pyrimidines and their interaction with HSA using molecular docking and multispectroscopic techniques.

PubMed

 

Resource

Bioorganic chemistry 2017 Jun 17; 73()

Authors

Ali A1; Asif M2; Alam P3; Jane Alam M4; Asif Sherwani M5; Hasan Khan R6; Ahmad S7; Shamsuzzaman 8;

Author Information
  • 1Steroid Research Laboratory, Department of Chemistry, Aligarh Muslim University, Aligarh 202 002, India. Electronic address: abadchem12@gmail.com.
  • 2Steroid Research Laboratory, Department of Chemistry, Aligarh Muslim University, Aligarh 202 002, India.
  • 3Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh 202002, India.
  • 4Department of Physics, Aligarh Muslim University, Aligarh 202002, India.
  • 5Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh 202002, India.
  • 6Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh 202002, India.
  • 7Department of Physics, Aligarh Muslim University, Aligarh 202002, India.
  • 8Steroid Research Laboratory, Department of Chemistry, Aligarh Muslim University, Aligarh 202 002, India. Electronic address: shamsuzzaman9@gmail.com.

Abstract

As a part of our continuing program on the synthesis of steroidal heterocycles, it has been prepared a series of novel steroidal pyrimidine derivatives 4-6via TMSCl, steroidal ketones (1c-3c), urea and benzaldehyde. The systems presented here, are novel scaffolds and have not been described before at 6th position of steroidal-6-one (1c-3c). Structural assignment of newly synthesized compounds was performed by DFT/B3LYP calculations as well as spectral and analytical data. The interactions of compounds (4-6) with HSA were studied by fluorescence spectroscopy, DLS, CD and molecular docking, under imitated physiological conditions. The antitumor activity has been tested in vitro against three cancer cell lines MDA-MB231 (breast carcinoma), HeLa (human cervical carcinoma), HepG2 (hepatic carcinoma) and one non-cancer normal cell lines, PBMCs (peripheral blood mononuclear cell) by MTT assay. In addition, in vitro antioxidant activity and apoptosis assay of the synthesized compounds (4-6) have also been investigated.

Copyright © 2017 Elsevier Inc. All rights reserved.

PMID

28623723

Others

Publication Type: Journal Article


This article is licensed under the the National Library of Medicine License. It uses material from the PubMed National Library of Medicine Data.


Last Modified:   2016-03-27


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