Category Ranking
98%
Total Visits
921
Avg Visit Duration
2 minutes
Citations
20
Article Abstract
In the present study, effort has been made to develop a mathematical model for the set of 19 (tetrahydromidazo [4,5,1-jk][1,4] benzodizepin-2(1H)-one) (TIBO) derivatives. The biological activity modeled in the present investigation is cytotoxic concentration (log 1/C). To investigate the cytotoxic behavior of TIBO derivatives, classical and nonconventional physicochemical properties are tested separately. Out of the two categories, the classical physicochemical properties play a dominating role in the modeling of cytotoxicity. On the basis of the results obtained and with the help of molecular modeling parameters, we discovered that the molecular property is most responsible for the cytotoxicity of TIBO derivatives.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/jbt.20270 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Small Non-coding RNAs Are Dysregulated in Huntington's Disease Transgenic Mice Independently of the Therapeutic Effects of an Environmental Intervention.
Mol Neurobiol
July 2021
Florey Institute of Neuroscience and Mental Health, University of Melbourne, Melbourne Brain Centre, Parkville, VIC, 3010, Australia.
Huntington's disease (HD) is a neurodegenerative disorder caused by a trinucleotide repeat expansion in the huntingtin gene. Transcriptomic dysregulations are well-documented in HD and alterations in small non-coding RNAs (sncRNAs), particularly microRNAs (miRNAs), could underpin that phenomenon. Additionally, environmental enrichment (EE), which is used to model a stimulating lifestyle in pre-clinical research, has been shown to ameliorate HD-related symptoms.
View Article and Find Full Text PDFIn Silico SAR Studies of HIV-1 Inhibitors.
Pharmaceuticals (Basel)
July 2018
Department of Chemistry, Faculty of Science Semlalia, BP 2390 Marrakech, Morocco.
Quantitative Structure Activity Relationships (QSAR or SAR) have helped scientists to establish mathematical relationships between molecular structures and their biological activities. In the present article, SAR studies have been carried out on 89 tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine (TIBO) derivatives using different classifiers, such as support vector machines, artificial neural networks, random forests, and decision trees. The goal is to propose classification models that will be able to classify TIBO compounds into two groups: high and low inhibitors of HIV-1 reverse transcriptase.
View Article and Find Full Text PDFCurious discoveries in antiviral drug development: the role of serendipity.
Med Res Rev
July 2015
Rega Institute for Medical Research, KU Leuven, Leuven, Belgium.
Antiviral drug development has often followed a curious meandrous route, guided by serendipity rather than rationality. This will be illustrated by ten examples. The polyanionic compounds (i) polyethylene alanine (PEA) and (ii) suramin were designed as an antiviral agent (PEA) or known as an antitrypanosomal agent (suramin), before they emerged as, respectively, a depilatory agent, or reverse transcriptase inhibitor.
View Article and Find Full Text PDFDancing with chemical formulae of antivirals: a personal account.
Biochem Pharmacol
September 2013
Rega Institute for Medical Research, KU Leuven, Minderbroedersstraat 10, B-3000 Leuven, Belgium.
A chemical structure is a joy forever, and this is how I perceived the chemical structures of a number of antiviral compounds with which I have been personally acquainted over the past 3 decades: (1) amino acid esters of acyclovir (i.e. valaciclovir); (2) 5-substituted 2'-deoxyuridines (i.
View Article and Find Full Text PDFModeling anti-HIV compounds: the role of analogue-based approaches.
Curr Comput Aided Drug Des
September 2012
Molecular Modelling Group, Indian Institute of Chemical Technology, Tarnaka, Hyderabad 500 607, India.
There has been a tremendous progress in the development of anti-HIV therapies since the discovery of the HIV virus. Computer aided drug design in general and analogue-based approaches in particular have played an important role in the process of HIV drug discovery. Structure-based approaches also have played a vital role in this process.
View Article and Find Full Text PDF