PMID- 31718965
OWN - NLM
STAT- MEDLINE
DCOM- 20201113
LR  - 20201113
IS  - 1873-3557 (Electronic)
IS  - 1386-1425 (Linking)
VI  - 228
DP  - 2020 Mar 5
TI  - A novel view of the separate and simultaneous binding effects of docetaxel and 
      anastrozole with calf thymus DNA: Experimental and in silico approaches.
PG  - 117528
LID - S1386-1425(19)30918-7 [pii]
LID - 10.1016/j.saa.2019.117528 [doi]
AB  - DNA stands as the primary purpose of many anticancer drugs and according to the 
      performed research on this field, some certain changes contain crucial 
      functionalities in the regulated transcription of DNA. Therefore, the interaction 
      between anticancer drugs and DNA play an important role in understanding their 
      function and also provide a better groundwork for producing more efficient and 
      newer drugs. Here, the interaction between Docetaxel (DO) and calf thymus DNA (ct 
      DNA), in the presence and absence of Anastrozole (AN), has been examined through 
      the usage of different methods that include isothermal titration calorimetry, 
      multi-spectroscopic, viscometry, and molecular docking techniques. Interaction 
      studies have been performed by preparing different molar ratios of DO with the 
      constant ct DNA and AN concentration at pH = 6.8. The binding constants have been 
      calculated to be 7.93 x 10(4) M(-1) and 6.27 x 10(4) M(-1), which indicate the 
      strong binding of DO with ct DNA double helix in the absence and presence of AN, 
      respectively. Thermodynamic parameters, which were obtained from fluorescence 
      spectroscopy and isothermal titration calorimetry, have suggested that the 
      binding of DO and AN to ct DNA as binary and ternary systems have been mainly 
      driven by the electrostatic interactions. The relative viscosity of ct DNA has 
      increased upon the addition of DO and AN, which confirms the interaction mode. A 
      competitive binding study has reported that the enhanced emission intensity of 
      ethidium bromide (EB) and acridine orange (AO), in the presence of ct DNA, have 
      been quenched through the addition of DO and Anastrozole as binary and ternary 
      systems. As it is indicated by these findings, DO is capable of displacing EB and 
      AO from their binding site in ct DNA; hence, it can be concluded that DO and AN 
      are able to intercalate into the base pairs of ct DNA in binary and ternary 
      systems. Molecular docking studies have corroborated the mentioned experimental 
      results.
CI  - Copyright (c) 2019 Elsevier B.V. All rights reserved.
FAU - Dareini, Maryam
AU  - Dareini M
AD  - Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad 
      University, Mashhad, Iran.
FAU - Amiri Tehranizadeh, Zeinab
AU  - Amiri Tehranizadeh Z
AD  - Medicinal Chemistry Department, School of Pharmacy, Mashhad University of Medical 
      Sciences, Mashhad, Iran. Electronic address: amiritz921@mums.ac.ir.
FAU - Marjani, Narges
AU  - Marjani N
AD  - Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad 
      University, Mashhad, Iran.
FAU - Taheri, Reza
AU  - Taheri R
AD  - Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad 
      University, Mashhad, Iran.
FAU - Aslani-Firoozabadi, Sogand
AU  - Aslani-Firoozabadi S
AD  - Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad 
      University, Mashhad, Iran.
FAU - Talebi, Atiye
AU  - Talebi A
AD  - Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad 
      University, Mashhad, Iran.
FAU - NayebZadeh Eidgahi, Negar
AU  - NayebZadeh Eidgahi N
AD  - Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad 
      University, Mashhad, Iran.
FAU - Saberi, Mohammad Reza
AU  - Saberi MR
AD  - Medicinal Chemistry Department, School of Pharmacy, Mashhad University of Medical 
      Sciences, Mashhad, Iran. Electronic address: saberimr@mums.ac.ir.
FAU - Chamani, Jamshidkhan
AU  - Chamani J
AD  - Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad 
      University, Mashhad, Iran. Electronic address: chamani.j@ut.ac.ir.
LA  - eng
PT  - Journal Article
DEP - 20191030
PL  - England
TA  - Spectrochim Acta A Mol Biomol Spectrosc
JT  - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
JID - 9602533
RN  - 15H5577CQD (Docetaxel)
RN  - 2Z07MYW1AZ (Anastrozole)
RN  - 9007-49-2 (DNA)
RN  - 91080-16-9 (calf thymus DNA)
SB  - IM
MH  - Anastrozole/chemistry/*metabolism
MH  - Binding, Competitive
MH  - Calorimetry
MH  - *Computer Simulation
MH  - DNA/chemistry/*metabolism
MH  - Docetaxel/chemistry/*metabolism
MH  - Kinetics
MH  - Models, Molecular
MH  - Nucleic Acid Denaturation
MH  - Osmolar Concentration
MH  - Scattering, Radiation
MH  - Spectrometry, Fluorescence
MH  - Thermodynamics
MH  - Viscosity
OTO - NOTNLM
OT  - Anastrozole
OT  - Docetaxel
OT  - Intercalate
OT  - Molecular dynamics
OT  - Spectroscopy
OT  - Viscosity
OT  - ct DNA
EDAT- 2019/11/14 06:00
MHDA- 2020/11/18 06:00
CRDT- 2019/11/14 06:00
PHST- 2019/07/26 00:00 [received]
PHST- 2019/09/12 00:00 [revised]
PHST- 2019/09/12 00:00 [accepted]
PHST- 2019/11/14 06:00 [pubmed]
PHST- 2020/11/18 06:00 [medline]
PHST- 2019/11/14 06:00 [entrez]
AID - S1386-1425(19)30918-7 [pii]
AID - 10.1016/j.saa.2019.117528 [doi]
PST - ppublish
SO  - Spectrochim Acta A Mol Biomol Spectrosc. 2020 Mar 5;228:117528. doi: 
      10.1016/j.saa.2019.117528. Epub 2019 Oct 30.