Nobody downloaded yet

QSAR - Essay Example

Comments (0) Cite this document
A qualitative structure activity relationship (QSAR) studies Name Institution date Abstract A qualitative structure activity relationship (QSAR) studies have been performed on numerous structured experiments including that aimed at determining the relationship between electronic parameters and topochemical and two measured activities…
Download full paperFile format: .doc, available for editing
GRAB THE BEST PAPER96.3% of users find it useful
Read TextPreview

Extract of sample

Download file to see previous pages The loaded values are expected to give descriptive information about the descriptors that will be interpreted in terms of significant biological correlation relationships. Notably, the experimental model applied in this study revealed that the main features describing the binding activities of the experimental compounds were partially charge-based receptors. This was an automatic measure of molecular electronic property. The same property can be used in an auto correlated that can be used to weigh substitute descriptors’ position. Additionally, the linear regression equation and its application can be used in predicting biological activity in the study. It is worth noting that the comparison of the result with the literature data indicates that the proposed quality of the model compared to the provided model compares well with the sophisticated 2D based method. Introduction The quantitative structured activity relationship, the QSAR techniques are currently suitable and indispensable in all research aspects especially in relation to biological molecular properties interpretation. Obviously, the chemical, biological, and or physical properties of a compound depend on the three dimensional (3D) molecular and atomic arrangement; however, the same properties can be examined in a two dimensional model. Notably, the capacity to produce qualitative and quantitative correlation between 2D molecular structures and their biological activities is fundamental in deciding what synthetic ways of bioactive chemicals. Numerous research works involving the application and use of QSAR have been applied in biological properties and structural determination of biological elements; for instance, the use of the Hansch molecule description. The QSARs analysis of the 2, 4- diamino – 5- (substituted benzyl) pyrimidines and 2,4 – diamino – 6 – dimethyl – 5 – phenyldihydrotriazines have suggested that neural network application have reliable and effective results than normal or traditional application of the regression methods. In supplementation with the regression processes, other techniques of determination of the activity of the biological molecules have since been introduced. This includes the use of inductive logic programming (ILP) that has since used to model the QSAR particularly in the trimethoprim analogues binding from E. coli to DHFR. This technique applies mainly the physiochemical attributes that are usually assigned to substituent heuristically towards a general approach. This application or process is usually applied to the design problem of drugs. However, it should be noted that this method is not significantly better than the regression or the traditional QSAR method; however, it is noted to produce rules that are likely to provide insight into the stereochemistry of the biological molecules under determination. In most cases, such stereochemistry does help in determining the structure and to some extent, depending on the analysis, chemical properties of a molecule. It should be noted that more evidence are still required to assess these newly applied methods properly to ascertain the comparative trials and the analysis in numerous and different ways. The biological steroids activities usually vary considerably depending on seemingly small structural changes within or about a molecule. The fundamental molecular family usually represents very challenging characteristics for any method of prediction. This ...Download file to see next pagesRead More
Cite this document
  • APA
  • MLA
(“QSAR Essay Example | Topics and Well Written Essays - 1500 words”, n.d.)
QSAR Essay Example | Topics and Well Written Essays - 1500 words. Retrieved from
(QSAR Essay Example | Topics and Well Written Essays - 1500 Words)
QSAR Essay Example | Topics and Well Written Essays - 1500 Words.
“QSAR Essay Example | Topics and Well Written Essays - 1500 Words”, n.d.
  • Cited: 0 times
Comments (0)
Click to create a comment or rate a document
The mechanisms that underlay the repairs of DNA damages
... come up with various synthetic versions of the drug in order to enhance the advantages of the chemical found in the natural plant. This has resulted in the development of several CPT analogues that are now used in the treatment of cancer. They include; Topotecan, Irinotecan, Exatecan, Lurotecan, and DB 67. Works cited. Chu E---DeVita V. T., "Physicians' Cancer Chemotherapy Drug Manual, 2007", Jones & Bartlett, 2007. Web Swaan .P.W ---Ulukan .H, “Camptothecins, a review of their chemotherapeutical potential".  2039–2057. Web Lu  A. J. --- H. J. Zou --- H. L. Jiang --- Z. S. Zheng ---X. M. Luo . "3D-QSAR study of 20 (S)-camptothecin analogs".  European Journal of Medicinal Chemistry. 307–314 Web... Chapter 2 College Objective The objective of...
22 Pages(5500 words)Thesis
Drug Development Process
...Structure - Activity Relationship (QSAR), 5) 5) Structural information using-NMR database and X-ray crystallography, 6) Synthesis of Compound 7) In Vitro and In Vivo Testing 8) Metabolism and Toxicity Testing 9) Pharmacokinetics 10) Clinical Trials 11) Formulation of Product 12) Approval Each step should follow the guidelines provided by the Food and Drug Administration. Product for development which has been marketed or studied previously will undergo the same steps. According to the February 1993 report by the Congressional Office of Technology Assessment, one company costs $359 million in U.S. To be able to get one new medicine from the laboratory testing to the pharmacist's shelf, the process usually takes 12...
6 Pages(1500 words)Essay
The Social Effects of the Design of Social Spaces
8 Pages(2000 words)Essay
Medicine. Chemistry
...of chemical reactions in order to get a product, or several products. This happens by physical and chemical manipulations usually involving one or more reactions. Chemical synthesis is a narrow and restricted to a specific kind of chemical reaction, a direct combination reaction, in which two or more reactants combine to form a single product. Quantitative Structure Activity Relationship (QSAR) an intersecting field of cheminformatics, molecular modeling. Machine learning describes the quantitative correlation of chemical as biological activity and this allows also the prediction of the so-called "drug efficacy" of a structurally related compound. (Nelapa, Rolfle and Harper, 2006) Chemical synthesis nowadays is being...
4 Pages(1000 words)Essay
Molecular Recognition and Drug Design
...predict structure of protein based on just amino acid sequences, classical example if homology modeling of protein folding. In post genomic era high throughput protein expression and structure determination by X-ray diffraction augmented by homology modeling makes key process for new drug development program. Quantitative Structure Activity Relationship (QSAR) is an area of computational research where virtual model was developed to determines binding proertise of ligand to its target molecules as well as to predict toxicological potential of existing or hypothetical molecules. QSAR is generally employed to establish correlation between structure and electronic properties of ligand molecules which...
4 Pages(1000 words)Essay
12 Pages(3000 words)Essay
DNA repair mechanisms role in survival to nucleoside analogues treatment in S.pombe
...of topoisomerase I covalent complexes in the absence of the tyrosyl-DNA phosphodiesterase Tdp1. Proceedings of the National Academy of Sciences, 99, 14970-14775. LOEB, L. A., LOEB, K. R. & ANDERSON, J. P. 2003. Multiple mutations and cancer. Proceedings of the National Academy of Sciences, 100, 776-781. Lu  A. J. --- H. J. Zou --- H. L. Jiang --- Z. S. Zheng ---X. M. Luo . "3D-QSAR study of 20 (S)-camptothecin analogs".  European Journal of Medicinal Chemistry. 307–314 Web MILAS, L., MASON, K. A., LIAO, Z. & ANG, K. K. 2002. Chemoradiotherapy: emerging treatement improvement strategies. Journal of the Sciences and Specialities of the Head and Neck, 25, 152-167. NAKAMURA, K., KOGAME, T., OSHIUMI, H., SHINOHARA, A.,...
9 Pages(2250 words)Thesis
Toxicological Effects of Arsenic and Fate of Arsenic
..., G., CORAL: Building up the model for bioconcentration factor and defining it’s applicability domain.//European Journal of Medicinal Chemistry 46, 2011.Print Total and Toxic Arsenic Levels in North Sea Fish. Arch. Environ. Contam. Toxicol. 43:406-417,2002.Print Wlodarczyk, B. A., G. D. Bennett, J. A. Calvin, R. H. Finnell. Arsenic-induced neural tube defects in mice: alterations in cell cycle gene expression. Reproductive Toxicology, 10: 447-454,1996.Print Zhao, C.. Boriani, E., A. Chana, Roncaglioni, and A. Benfenati. E., A New Hybrid QSAR Model for Predicting Bioconcentration Factor (BCF) Chemosphere, 2008.Print Fishbein, L. Perspectives of carcinogenic and mutagenic metals in biological samples. Int....
9 Pages(2250 words)Term Paper
Animal Behaviour
...simulators which can very accurately predict the effects of a particular drug on human body based on these models. Quantitative structure activity relationship (QSAR) are described as computer based testing which can suggests a drugs usefulness based on previous studies on similar substances. Animal rights activist actively vouch for these procedures to replace as much of animal testing as possible. Human Volunteers: Since the purpose of every testing done on animals is to benefit human in one or the other, it is best if the similar testing are done directly on humans, moreover if a drug is not suitable for a human being it will be cured then and there without going through the high cost laboratory experiments on...
6 Pages(1500 words)Essay
Ethics of Public Health Policies
3 Pages(750 words)Essay
sponsored ads
We use cookies to create the best experience for you. Keep on browsing if you are OK with that, or find out how to manage cookies.
Let us find you another Essay on topic QSAR for FREE!
logo footer
Contact us:
Contact Us Now
FREE Mobile Apps:
  • StudentShare App Store
  • StudentShare Google play
  • About StudentShare
  • Testimonials
  • FAQ
  • Blog
  • Free Essays
  • New Essays
  • Essays
  • Miscellaneous
  • The Newest Essay Topics
  • Index samples by all dates
Join us:
Contact Us