Nobody downloaded yet

Drug Designing with the Aid of Computers - Essay Example

Comments (0) Cite this document
The advent of Computers has assisted the human society by innumerable means. Transforming the society into something that it was never like before, computers have become an integral part of our society…
Download full paperFile format: .doc, available for editing
GRAB THE BEST PAPER92.3% of users find it useful
Drug Designing with the Aid of Computers
Read TextPreview

Extract of sample
"Drug Designing with the Aid of Computers"

Download file to see previous pages Drug Designing is an exceptional Example of a field that has been benefited immensely by the use of computers. Molecular imaging has made great revolutions in the designing of drugs. DRUG DESIGNING: Drug Designing can be termed as a method whereby drugs can be invented by targeting a specific biological molecule and then designing new medications based on the relevant information. If narrated simply, the designing of a drug may involve the following generic processes: The cause of the disease to be identified The target to be attacked is identified The ‘Lead Compound’ is identified. Tests are carried out for the ‘Lead Compound’ Trial conducted in clinics Drug approved Present day drug design extensively relies on computer based molecular modeling techniques. Computer Drug Design has been known to have possessed exemplary technologies that conduct the drug development process speedily. Computer Based Drug Designing Methodologies are preferred over Traditional Drug Designing capabilities because:
• “Random trial and erroneous
• Time consuming,
• Comparatively much more expensive
• Very low in output (1 in 100,000)” (Huang, n.d.)

In Comparison to the above mentioned properties of traditional drug design Computer Aided Drug Design Methodologies are thought to be:
• Structural in Nature
• Specifically Targeted
• Automatic
• Much Faster than the Traditional Methods
• Much lower in cost
• Having a comparatively much higher success rate than the traditional method.

Molecular modeling is a popular method of drug design. It is a science by means of which molecular structures are represented numerically. Their behavior is then simulated by making use of the equations from quantum and classical physics. It is with the use of this molecular modeling via computers that computer aided drug designing finally gets executed. The first step in the approach towards drug design by this methodology is the identification of a molecule that may be critical to the pathogen of any specific disease. The molecular structure of the target molecule that has been identified is now resolute. Sufficient molecular information is essential in order to proceed further on with the designing of the drug. The structure of the target molecule, as discussed above, is used to construct a ligand. The recognition of the target protein is the next step followed by the ways by which it would be bound. The point of concern here is that the structure of proteins is very versatile in nature. Proteins change the structure of their molecule when they are undergoing different functions. Types of Molecular Modeling “Based on the type of information at hand, either ligand based or molecular based design methods are selected.” (Daharwal, 2006). The proposed combinations are very rapidly generated by computers that instantly display an entire list of the proposed molecules. Molecular Modelling screens through large databases of chemical ligands and molecules of compounds. In doing so, it identifies the molecules that may become potential drugs. The above process is termed as Molecular Docking. SIMULATIONS FOR DRUG DESIGNING Since protein structures are rapidly changing and cannot be predicted computers are essentially used to simulate the dynamically changing structure of molecules. Hihg performance computing is often used to assist. For example, at the ...Download file to see next pagesRead More
Cite this document
  • APA
  • MLA
(“Drug Designing with the Aid of Computers Essay Example | Topics and Well Written Essays - 2250 words”, n.d.)
Drug Designing with the Aid of Computers Essay Example | Topics and Well Written Essays - 2250 words. Retrieved from
(Drug Designing With the Aid of Computers Essay Example | Topics and Well Written Essays - 2250 Words)
Drug Designing With the Aid of Computers Essay Example | Topics and Well Written Essays - 2250 Words.
“Drug Designing With the Aid of Computers Essay Example | Topics and Well Written Essays - 2250 Words”, n.d.
  • Cited: 0 times
Comments (0)
Click to create a comment or rate a document
First aid
...?FIRST AID MANAGEMENT OF BLEEDING AND SHOCK Blood is an important component of the body, providing oxygen and nutrients from the lungs and gastrointestinal organs, respectively, and transporting carbon dioxide and metabolic by-products to excreting organs, in return. Oxygen and nutrients are important in providing energy that powers physiological processes (Zieve and Heller, 2011). When bleeding happens, organs are inadequately perfused and there is poor oxygen delivery to tissues. Bleeding may be the result of heart failure and vessel dissection. It may occur internally, through normal orifices, or from breaks on the skin. Normally, bleeding points are caused by injuries on mucosal or external surface, and stop...
3 Pages(750 words)Research Paper
...? Assignment Laptops and net books are extremely handy today because most people prefer to be on the move and have a portable workstation from where they can get done with their work. However, today, the world is spoilt for choice and there are a number of available options for people to choose from; there are Macs created by Apple, net books by companies like Samsung and HP, and PCs created by Microsoft. All these computers have both pros and cons and it becomes difficult to evaluate which one is best suited for a particular individual. Further provided is a comparison as well as contrast among the different types of computers available for the purpose of buying them for the members of an organization....
4 Pages(1000 words)Essay
...?Computers: Introduction: The modern times are driven by digital dominance. This dominance comes in form of various digital devices. Computer is one of them that is ubiquitously present all around. It is part of almost every digital device that we possess. In some it is used in direct method, in others computer provides support in indirect method. The advancements that have taken place in recent three to four decades can be attributed to the computers directly. They are part of our houses, offices, leisure, sports grounds, roads, airways. In short in present day we can hardly find a corner that is void of computer and its excellences. They have truly...
6 Pages(1500 words)Research Paper
...? Computers and Information Technology Introduction Since the introduction of computer and information technology, much advancement has been made in various sectors. This development has not only enabled innovation but also opened avenues for growth and economic prosperity. However, as technology advances, the risks involved also increase. It has therefore been important in today’s world to ensure that technology systems are secured with the latest computer security software available. Individuals as well as organizations strive to address the challenge of security threats. Through technology, ill-intended people have been able to steal the identity of others and orchestrate terror...
4 Pages(1000 words)Essay
Designing babies
...Designing Babies Introduction: Imagine a world where every male is healthy, with an average height of six feet, and woman evenly matched with only biological differences between them. All have a very high IQ and are competitive and aggressive. In other words, man is a spitting image of a Hollywood movie hero and the women is a spitting image of a heroine. The concept of a perfect world has existed for a long time and history is replete with such instances where civilizations have by artificial intervention attempted to create a healthy and genetically strong population. The Cossacks used to leave newborn babies overnight in the snow so that only the strong and healthy ones survived. The Greeks had similar ways to cleanse...
2 Pages(500 words)Essay
...Computers Dell Computers have revolutionized the way people work at home as well as at the office. Unlike the many of the major historical players in the hi-tech world of personal computers, Dell has staked out a claim for itself as a leader in the personal computer (PC) development, manufacturing and sales world. Dell is a multinational corporation with offices around the world and has quickly become an important player in the competitive world of personal computers and computer related products. Fortune 500 ranked Dell Computers as the 25th largest company on its 2006 list and also that year it was rated as the 8th...
3 Pages(750 words)Essay
...laptops do not have extension slots thus they require USB compliant hardware which are more expensive and specially manufactured. Models of Computers with Built-in Network Connectivity These are those computers that are designed with capabilities to support networks without necessarily attaching exterior devices. The laptops that support this according to Pricegrabber (n.d.) include; Compaq Presario CQ60-212EM, Toshiba Satellite R15-S822 and Compaq Presario CQ60-420US while desktop computers include Dell OptiPlex GX520, Acer Aspire AM5800-U5802A, HP (Hewlett-Packard) Pavilion Slimline s5120f Desktop etc. Setting Up a Network for a Company That Has Offices in Five...
3 Pages(750 words)Essay
Designing Interventions
...DESIGNING INTERVENTIONS This report looked at ways of salvaging the organization from its present crisis. This was done by taking the management through certain strategic inventions and approaches. It was for instance identified that the best organizational development process skills that needs to be implemented by the executives of the organization should include among other things, problem identification, planning, situational assessment, action planning, implementation of plan, data collection, analysis of results and finally feedback on intervention. It was also realized that the entire interventional approach should be divided into two broad strategies, which are short-term and long-term strategies. Short term...
2 Pages(500 words)Essay
...Are Computers Good? Computers have continued to evolve in everyday life and have turned to be mandatory gadgets. Almost all groups of people, including children, the aged, college students and professors require computers to perform various tasks. Computers help in storage as well as retrieval of data (Walker 169). Computers make work easy. Computers have led to the invention of other important items. They have also helped reduce the workload for workers. Computers help monitor and keep track of items. They have helped in boosting security for various places. The military relies on data from the internet with the...
1 Pages(250 words)Essay
Legal Aid
...Recent changes to LASPOA are a threat to the rule of law Summary of the key points made in Fordham, M., Jaffey, B. and Mehta, R. (2013) The recent changes to LASPOA 2012 provide that for an individual to qualify for legal aid, they must first be “lawfully resident of the UK, Crown Dependencies or British Overseas Territories” (Fordham, Jaffey and Mehta, 2013:219). Secondly, the person is required to have continuously resided within any of the specified territories for 12 months, before the application of the legal aid. The introduction of these changes in LASPOA 2012 goes against the provisions of the Human Rights Act 1998, the EU law and the common law, as regards to the equal access to justice for all...
6 Pages(1500 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 Drug Designing with the Aid of Computers 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