PMID- 26862600
OWN - NLM
STAT- MEDLINE
DCOM- 20161213
LR  - 20161230
IS  - 1463-9084 (Electronic)
IS  - 1463-9076 (Linking)
VI  - 18
IP  - 9
DP  - 2016 Mar 7
TI  - Binding properties of pendimethalin herbicide to DNA: multispectroscopic and 
      molecular docking approaches.
PG  - 6476-85
LID - 10.1039/c5cp07351k [doi]
AB  - Pendimethalin (PND) is a systemic herbicide widely used on rice, cotton, peas, 
      wheat, potatoes, fruits, nuts and other residential and non-residential crops; 
      however, it concurrently exerts toxic effects on beneficial organisms like 
      earthworms, aquatic invertebrates and other non-targeted animals including 
      humans. Most likely, the genotoxicity of agrochemicals/drugs is modulated through 
      cellular distribution of bound DNA. Therefore, the in vitro interaction of PND 
      with calf thymus DNA (ctDNA) has been investigated using various sensitive 
      biophysical techniques to ascertain its binding mechanism. UV-visible absorption 
      and fluorescence spectra suggested the formation of a complex between PND and 
      ctDNA. The binding constant of the PND-ctDNA complex was found to be around 10(4) 
      M(-1) using steady state fluorescence titration. The calculated positive values 
      of enthalpy and entropy changes suggested that the binding reaction was 
      predominantly driven by hydrophobic interactions. Competitive displacement 
      studies using acridine orange (AO), ethidium bromide (EB) and Hoechst dye 
      suggested intercalation of PND molecules into the double helix of ctDNA by 
      replacing the bound AO and EB probes. An increase in the viscosity and melting 
      temperature of ctDNA and a decrease in iodine-quenching also support the 
      intercalative binding of PND with ctDNA. Molecular docking analysis further 
      confirmed the specific binding mode of PND between adjacent 'G-C' base pairs of 
      ctDNA.
FAU - Ahmad, Irshad
AU  - Ahmad I
AD  - Department of Biochemistry, Faculty of Life Sciences, Aligarh Muslim University, 
      Aligarh, U.P. 202002, India. masoodamua@rediffmail.com.
FAU - Ahmad, Ajaz
AU  - Ahmad A
FAU - Ahmad, Masood
AU  - Ahmad M
LA  - eng
PT  - Journal Article
DEP - 20160210
PL  - England
TA  - Phys Chem Chem Phys
JT  - Physical chemistry chemical physics : PCCP
JID - 100888160
RN  - 0 (Aniline Compounds)
RN  - 0 (Herbicides)
RN  - 0 (Iodides)
RN  - 9007-49-2 (DNA)
RN  - VL6L14C06U (pendimethalin)
SB  - IM
MH  - Aniline Compounds/*chemistry
MH  - Circular Dichroism
MH  - DNA/*chemistry
MH  - Herbicides/*chemistry
MH  - Iodides/chemistry
MH  - Molecular Docking Simulation
MH  - Spectrometry, Fluorescence/*methods
MH  - Spectrophotometry, Ultraviolet/*methods
MH  - Thermodynamics
MH  - Viscosity
EDAT- 2016/02/11 06:00
MHDA- 2016/12/15 06:00
CRDT- 2016/02/11 06:00
PHST- 2016/02/11 06:00 [entrez]
PHST- 2016/02/11 06:00 [pubmed]
PHST- 2016/12/15 06:00 [medline]
AID - 10.1039/c5cp07351k [doi]
PST - ppublish
SO  - Phys Chem Chem Phys. 2016 Mar 7;18(9):6476-85. doi: 10.1039/c5cp07351k. Epub 2016 
      Feb 10.