Elucidating the interaction of sulindac with calf thymus DNA: biophysical and in silico molecular modelling approach

2017 ◽  
Vol 41 (24) ◽  
pp. 14924-14935 ◽  
Author(s):  
Mohammed Amir Husain ◽  
Hassan Mubarak Ishqi ◽  
Sayeed Ur Rehman ◽  
Tarique Sarwar ◽  
Shumaila Afrin ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
In Silico ◽  
Calf Thymus Dna ◽  
Calf Thymus ◽  
Modelling Approach

Sulindac is one of the most effective NSAIDs and belongs to the arylalkanoic acid class.

scholarly journals Interaction of indomethacin with calf thymus DNA: a multi-spectroscopic, thermodynamic and molecular modelling approach

MedChemComm ◽  
2017 ◽  
Vol 8 (6) ◽  
pp. 1283-1296 ◽  
Author(s):  
Mohammed Amir Husain ◽  
Hassan Mubarak Ishqi ◽  
Tarique Sarwar ◽  
Sayeed Ur Rehman ◽  
Mohammad Tabish
Keyword(s):  
Acetic Acid ◽  
Acid Derivative ◽  
Molecular Modelling ◽  
Biological Activities ◽  
Calf Thymus Dna ◽  
Calf Thymus ◽  
Inflammatory Drugs ◽  
Anti Inflammatory ◽  
Modelling Approach

Indomethacin belongs to the acetic acid derivative class of non-steroidal anti-inflammatory drugs with diverse pharmacological and biological activities.

scholarly journals INTERACTION OF TWO FLAVONOIDS WITH CALF THYMUS DNA: A MULTI - SPECTROSCOPIC, ELECTROCHEMICAL AND MOLECULAR MODELLING APPROACH

2018 ◽  
Vol 7 (1) ◽  
pp. 10 ◽  
Author(s):  
Venmathy Prabhakaran ◽  
J. Jeyasundari ◽  
V. S. Vasantha ◽  
P. Nandha Kumar ◽  
M. Sakthi
Keyword(s):  
Molecular Modelling ◽  
Calf Thymus Dna ◽  
Calf Thymus ◽  
Modelling Approach

A novel view of the separate and simultaneous binding effects of docetaxel and anastrozole with calf thymus DNA: Experimental and in silico approaches

2020 ◽  
Vol 228 ◽  
pp. 117528
Author(s):  
Maryam Dareini ◽  
Zeinab Amiri Tehranizadeh ◽  
Narges Marjani ◽  
Reza Taheri ◽  
Sogand Aslani-Firoozabadi ◽  
...  
Keyword(s):  
In Silico ◽  
Calf Thymus Dna ◽  
Calf Thymus

Caffeic acid binds to the minor groove of calf thymus DNA: A multi-spectroscopic, thermodynamics and molecular modelling study

2017 ◽  
Vol 98 ◽  
pp. 319-328 ◽  
Author(s):  
Tarique Sarwar ◽  
Hassan Mubarak Ishqi ◽  
Sayeed Ur Rehman ◽  
Mohammed Amir Husain ◽  
Yusra Rahman ◽  
...  
Keyword(s):  
Caffeic Acid ◽  
Molecular Modelling ◽  
Minor Groove ◽  
Calf Thymus Dna ◽  
Calf Thymus ◽  
Modelling Study

Spectroscopic and In Silico DNA Binding Studies on the Interaction of Some New N-Substituted Rhodanines with Calf-thymus DNA: In Vitro Anticancer Activities

2019 ◽  
Vol 19 (3) ◽  
pp. 425-433 ◽  
Author(s):  
Imran Ali ◽  
Mohammad N. Lone ◽  
Zeid A. Alothman ◽  
Ahmad Y. Badjah ◽  
Abdullah G. Alanazi
Keyword(s):  
Dna Binding ◽  
Anticancer Agents ◽  
In Silico ◽  
Calf Thymus Dna ◽  
Black Dot ◽  
Anticancer Activities ◽  
Binding Studies ◽  
Molecular Docking Study ◽  
Calf Thymus ◽  
Dna Binding Studies

Background: In this era of science, cancer is a black dot on the face of humankind. Consequently, the search of promising anticancer agents continues. Aims: Here we designed and synthesized new N-substituted rhodanines (RD1-7), evaluated their multispectroscopic interaction with calf thymus DNA, in silico and anticancer studies against MDA-MB-231cancer cell line. Methods: By MTT assay rhodanine RD1 was found to be the most potent with IC50 value of 72.61 μM. In addition, DNA binding studies (UV-vis and fluorescence) revealed strong binding affinity of RD1-7 with DNA (Kb in the range of 1.5-7.4 × 105 M-1). Moreover, molecular docking study, experimental DNA binding and anticancer studies are all well agreed to each other. Results: It was observed that H-bonding and hydrophobic attractions were responsible for stability of DNAcompound adducts. Besides, the reported rhodanines (RD1-7) were found as minor groove binders of DNA. Concisely, RD1-7 indicated promising pharmacological properties and hence, shows auspicious future for the development of novel anticancer agents. Conclusion: The reported rhodanines showed excellent anticancer properties. Therefore, the described rhodanines may be used as potential anticancer agents in the future.

Studying the interaction of scopolamine with calf-thymus DNA: An in-vitro and in-silico approach and genotoxicity

2022 ◽  
Vol 265 ◽  
pp. 120391
Author(s):  
Faisal Ameen ◽  
Sharmin Siddiqui ◽  
Ishrat Jahan ◽  
Shahid M. Nayeem ◽  
Sayeed ur Rehman ◽  
...  
Keyword(s):  
In Silico ◽  
Calf Thymus Dna ◽  
Calf Thymus

Spectroscopic investigation of interaction of 6-methoxyflavanone and its β-cyclodextrin inclusion complex with calf thymus DNA

2012 ◽  
Vol 66 (8) ◽  
Author(s):  
Sameena Yousuf ◽  
Israel Enoch
Keyword(s):  
Fluorescence Intensity ◽  
Molecular Modelling ◽  
Calf Thymus Dna ◽  
Binding Interaction ◽  
Calf Thymus ◽  
Hyperchromic Effect ◽  
Voltammetric Studies ◽  
Presence And Absence ◽  
Different Characteristics ◽  
Cyclic Voltammetric Studies

AbstractThe interaction of 6-methoxyflavanone (6MF, 6-methoxy-2-phenyl-4H-1-benzopyran-4-one) with calf thymus DNA (ctDNA) was investigated by absorption spectroscopy, fluorescence spectroscopy, and cyclic voltammetry in the presence and absence of β-cyclodextrin (β-CD) acting as capping agent. Molecular modelling was used to optimise the study of 6MF-β-CD and 6MF-DNA interactions. Enhancement in the fluorescence intensity of 6MF was observed due to the formation of 1 : 1 complex with β-CD. In the presence and absence of DNA, 6MF showed different characteristics such as hyperchromic effect, red shift of absorption spectra and fluorescence quenching of 6MF due to binding between 6MF and ctDNA. The nature of the binding group was found to be different for the 6MF-ctDNA and 6MF-ctDNA-β-CD systems. An increase in fluorescence intensity was observed for the 6MF-ctDNA system while varying the concentration of β-CD due to encapsulation of a part of 6MF in cyclodextrin. The results are compatible with the possibility of the interaction of dihydrobenzopyran-4-one moiety of 6MF with ctDNA as well as with β-CD. Cyclic voltammetric studies confirmed the binding interaction between 6MF and ctDNA in the absence and presence of β-CD and molecular modelling explains the site of the interaction of 6MF with cyclodextrin and ctDNA.

scholarly journals The Unusual Fluorescence Quenching of Coumarin 314 by β-Cyclodextrin and the Effect of β-Cyclodextrin on its Binding with Calf Thymus DNA

2014 ◽  
Vol 67 (2) ◽  
pp. 256 ◽  
Author(s):  
Chandrasekaran Sowrirajan ◽  
Sameena Yousuf ◽  
Israel V. M. V. Enoch
Keyword(s):  
Fluorescence Quenching ◽  
Molecular Modelling ◽  
Nuclear Overhauser Effect ◽  
Calf Thymus Dna ◽  
Cyclodextrin Complex ◽  
Time Resolved ◽  
Calf Thymus ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Nuclear Overhauser

This paper discusses the binding of a laser dye, Coumarin 314 with β-cyclodextrin, studied mainly by UV-visible spectroscopy, 2D rotating-frame nuclear Overhauser effect spectroscopy (ROESY), steady-state spectroscopy and time-resolved fluorescence spectroscopy. The role of β-cyclodextrin on the binding of Coumarin 314 with calf thymus DNA was investigated. Coumarin 314 shows a hyperchromic shift of absorption and a quenching of fluorescence due to binding with β-cyclodextrin. The fluorescence quenching is non-linear and the reason for the non-linearity is discussed. The unusual fluorescence quenching on Coumarin 314–β-cyclodextrin binding is rationalised from the effect of acidity on absorption, fluorescence, and molecular modelling studies. Additional proof for the mode of binding is given by 2D ROESY. The capped and exposed portions of the Coumarin 314 molecule in the Coumarin 314–β-cyclodextrin complex when binding with calf thymus DNA were visualised based on spectral and molecular modelling studies.

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