Unravelling the interaction of pirenzepine, a gastrointestinal disorder drug, with calf thymus DNA: An in vitro and molecular modelling study

2017 ◽  
Vol 625-626 ◽  
pp. 1-12 ◽  
Author(s):  
Yusra Rahman ◽  
Shumaila Afrin ◽  
Mohammed Amir Husain ◽  
Tarique Sarwar ◽  
Abad Ali ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
Gastrointestinal Disorder ◽  
Calf Thymus Dna ◽  
Calf Thymus ◽  
Modelling Study

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

scholarly journals Comprehensive exploration of the anticancer activities of procaine and its binding with calf thymus DNA: a multi spectroscopic and molecular modelling study

RSC Advances ◽  
2018 ◽  
Vol 8 (17) ◽  
pp. 9083-9093 ◽  
Author(s):  
Mohd. Sajid Ali ◽  
Mohammad Abul Farah ◽  
Hamad A. Al-Lohedan ◽  
Khalid Mashay Al-Anazi
Keyword(s):  
Anticancer Activity ◽  
Molecular Modelling ◽  
Minor Groove ◽  
Calf Thymus Dna ◽  
Anticancer Activities ◽  
Demethylating Agent ◽  
Calf Thymus ◽  
Ct Dna ◽  
Modelling Study

DNA demethylating agent procaine binds at the minor groove of ct-DNA and increases the anticancer activity of doxorubicin.

Interaction of capsaicin with calf thymus DNA: A multi-spectroscopic and molecular modelling study

2017 ◽  
Vol 97 ◽  
pp. 392-402 ◽  
Author(s):  
Faizan Abul Qais ◽  
K.M. Abdullah ◽  
Md. Maroof Alam ◽  
Imrana Naseem ◽  
Iqbal Ahmad
Keyword(s):  
Molecular Modelling ◽  
Calf Thymus Dna ◽  
Calf Thymus ◽  
Modelling Study

scholarly journals In vitro anticancer potentiality and molecular modelling study of novel amino acid derivatives based on N1,N3-bis-(1-hydrazinyl-1-oxopropan-2-yl) isophthalamide

2019 ◽  
Vol 34 (1) ◽  
pp. 1247-1258 ◽  
Author(s):  
Asmaa F. Kassem ◽  
Gaber O. Moustafa ◽  
Eman S. Nossier ◽  
Hemat S. Khalaf ◽  
Marwa M. Mounier ◽  
...  
Keyword(s):  
Amino Acid ◽  
Molecular Modelling ◽  
Amino Acid Derivatives ◽  
Modelling Study

Reactions of propylene oxide with 2′-deoxynucleosides and in vitro with calf thymus DNA

1988 ◽  
Vol 67 (3-4) ◽  
pp. 275-294 ◽  
Author(s):  
Jerome J. Solomon ◽  
Frank Mukai ◽  
John Fedyk ◽  
Alvin Segal
Keyword(s):  
Propylene Oxide ◽  
Calf Thymus Dna ◽  
Calf Thymus

scholarly journals Novel Group of AChE Reactivators—Synthesis, In Vitro Reactivation and Molecular Docking Study

Molecules ◽  
2018 ◽  
Vol 23 (9) ◽  
pp. 2291 ◽  
Author(s):  
David Malinak ◽  
Eugenie Nepovimova ◽  
Daniel Jun ◽  
Kamil Musilek ◽  
Kamil Kuca
Keyword(s):  
Molecular Docking ◽  
Molecular Modelling ◽  
Active Site ◽  
Molecular Design ◽  
Docking Study ◽  
The Novel ◽  
Molecular Docking Study ◽  
Causal Treatment ◽  
Modelling Study

The acetylcholinesterase (AChE) reactivators (e.g., obidoxime, asoxime) became an essential part of organophosphorus (OP) poisoning treatment, together with atropine and diazepam. They are referred to as a causal treatment of OP poisoning, because they are able to split the OP moiety from AChE active site and thus renew its function. In this approach, fifteen novel AChE reactivators were determined. Their molecular design originated from former K-oxime compounds K048 and K074 with remaining oxime part of the molecule and modified part with heteroarenium moiety. The novel compounds were prepared, evaluated in vitro on human AChE (HssAChE) inhibited by tabun, paraoxon, methylparaoxon or DFP and compared to commercial HssAChE reactivators (pralidoxime, methoxime, trimedoxime, obidoxime, asoxime) or previously prepared compounds (K048, K074, K075, K203). Some of presented oxime reactivators showed promising ability to reactivate HssAChE comparable or higher than the used standards. The molecular modelling study was performed with one compound that presented the ability to reactivate GA-inhibited HssAChE. The SAR features concerning the heteroarenium part of the reactivator’s molecule are described.

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