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Lead Compound
A lead compound (, i.e. a "leading" compound, not to be confused with various compounds of the metallic element lead) in drug discovery is a chemical compound that has pharmacological or biological activity likely to be therapeutically useful, but may nevertheless have suboptimal structure that requires modification to fit better to the target; lead drugs offer the prospect of being followed by back-up compounds. Its chemical structure serves as a starting point for chemical modifications in order to improve potency, selectivity, or pharmacokinetic parameters. Furthermore, newly invented pharmacologically active moieties may have poor druglikeness and may require chemical modification to become drug-like enough to be tested biologically or clinically. Terminology Lead compounds are sometimes called developmental candidates. This is because the discovery and selection of lead compounds occurs prior to preclinical and clinical development of the candidate. Discovering lead compo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Metal
A metal () is a material that, when polished or fractured, shows a lustrous appearance, and conducts electrical resistivity and conductivity, electricity and thermal conductivity, heat relatively well. These properties are all associated with having electrons available at the Fermi level, as against nonmetallic materials which do not. Metals are typically ductile (can be drawn into a wire) and malleable (can be shaped via hammering or pressing). A metal may be a chemical element such as iron; an alloy such as stainless steel; or a molecular compound such as polythiazyl, polymeric sulfur nitride. The general science of metals is called metallurgy, a subtopic of materials science; aspects of the electronic and thermal properties are also within the scope of condensed matter physics and solid-state chemistry, it is a multidisciplinary topic. In colloquial use materials such as steel alloys are referred to as metals, while others such as polymers, wood or ceramics are nonmetallic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Antagonist
An antagonist is a character in a story who is presented as the main enemy or rival of the protagonist and is often depicted as a villain.About.com, Literature: Contemporary "Antagonist." Online. 18 October 2007. * Retrieved 25 March 2015. * Retrieved on 27 March 2015. * Retrieved on 27 March 2015. * Retrieved on 27 March 2015. Etymology The English word antagonist comes from the Greek ἀνταγωνιστής – ''antagonistēs'', "opponent, competitor, villain, enemy, rival," which is derived from ''anti-'' ("against") and ''agonizesthai'' ("to contend for a prize").Types Heroes and villains The ...[...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Lead Optimization
Hit to lead (H2L) also known as lead generation is a stage in early drug discovery where small molecule hits from a high throughput screen (HTS) are evaluated and undergo limited optimization to identify promising lead compounds. These lead compounds undergo more extensive optimization in a subsequent step of drug discovery called lead optimization (LO). The drug discovery process generally follows the following path that includes a hit to lead stage: * Target validation (TV) → Assay development → High-throughput screening (HTS) → Hit to lead (H2L) → Lead optimization (LO) → Preclinical development → Clinical development The hit to lead stage starts with confirmation and evaluation of the initial screening hits and is followed by synthesis of analogs (hit expansion). Typically the initial screening hits display binding affinities for their biological target in the micromolar (10−6 molar concentration) range. Through limited H2L optimization, the affinities of th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Drug Discovery Hit To Lead
Hit to lead (H2L) also known as lead generation is a stage in early drug discovery where small molecule hits from a high-throughput screening, high throughput screen (HTS) are evaluated and undergo limited optimization to identify promising lead compounds. These lead compounds undergo more extensive optimization in a subsequent step of drug discovery called lead optimization (LO). The drug discovery process generally follows the following path that includes a hit to lead stage: * Target validation (TV) → Assay development → High-throughput screening (HTS) → Hit to lead (H2L) → #Lead optimization phase, Lead optimization (LO) → Preclinical development → Drug development#Clinical phase, Clinical development The hit to lead stage starts with confirmation and evaluation of the initial screening hits and is followed by synthesis of structural analog, analogs (hit expansion). Typically the initial screening hits display binding affinity, binding affinities for their biologic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Rational Drug Design
Drug design, often referred to as rational drug design or simply rational design, is the invention, inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic compound, organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic effect, therapeutic benefit to the patient. In the most basic sense, drug design involves the design of molecules that are complementary in shape and electric charge, charge to the biomolecular target with which they interact and therefore will bind to it. Drug design frequently but not necessarily relies on molecular modelling, computer modeling techniques. This type of modeling is sometimes referred to as computer-aided drug design. Finally, drug design that relies on the knowledge of the three-dimensional structure of the biomolecular target is known as structure-based drug design. In addition to small molec ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Drug Development
Drug development is the process of bringing a new pharmaceutical drug to the market once a lead compound has been identified through the process of drug discovery. It includes preclinical research on microorganisms and animals, filing for regulatory status, such as via the United States Food and Drug Administration for an investigational new drug to initiate clinical trials on humans, and may include the step of obtaining regulatory approval with a new drug application to market the drug. The entire process—from concept through preclinical testing in the laboratory to clinical trial development, including Phase I–III trials—to approved vaccine or drug typically takes more than a decade. New chemical entity development Broadly, the process of drug development can be divided into preclinical and clinical work. Pre-clinical New chemical entities (NCEs, also known as new molecular entities or NMEs) are compounds that emerge from the process of drug discovery. These h ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Rational Drug Design
Drug design, often referred to as rational drug design or simply rational design, is the invention, inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic compound, organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic effect, therapeutic benefit to the patient. In the most basic sense, drug design involves the design of molecules that are complementary in shape and electric charge, charge to the biomolecular target with which they interact and therefore will bind to it. Drug design frequently but not necessarily relies on molecular modelling, computer modeling techniques. This type of modeling is sometimes referred to as computer-aided drug design. Finally, drug design that relies on the knowledge of the three-dimensional structure of the biomolecular target is known as structure-based drug design. In addition to small molec ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Modeling
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system. The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include treating atoms as the smallest individual unit (a molecular mechanics approach), or explicitly modelling protons and neutrons with its quarks, anti-quarks and gluons and electrons with its photons (a quantum chemistry approach). Molecular mechanics Molecular mechanics is one aspect of molecular modelling, as it involves the use of classical mech ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Combinatorial Chemistry
Combinatorial chemistry comprises chemical synthesis, chemical synthetic methods that make it possible to prepare a large number (tens to thousands or even millions) of compounds in a single process. These compound library, compound libraries can be made as mixtures, sets of individual compounds or chemical structures generated by computer software. Combinatorial chemistry can be used for the synthesis of small molecules and for peptides. Strategies that allow identification of useful components of the libraries are also part of combinatorial chemistry. The methods used in combinatorial chemistry are applied outside chemistry, too. Introduction The basic principle of combinatorial chemistry is to prepare compound library, libraries of a very large number of compounds and identify those which are useful as potential drugs or agrochemicals. This relies on high-throughput screening which is capable of assessing the output at sufficient scale. Although combinatorial chemistry has only ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Natural Products
A natural product is a natural compound or substance produced by a living organism—that is, found in nature. In the broadest sense, natural products include any substance produced by life. Natural products can also be prepared by chemical synthesis (both semisynthesis and total synthesis and have played a central role in the development of the field of organic chemistry by providing challenging synthetic targets). The term ''natural product'' has also been extended for commercial purposes to refer to cosmetics, dietary supplements, and foods produced from natural sources without added artificial ingredients. Within the field of organic chemistry, the definition of natural products is usually restricted to organic compounds isolated from natural sources that are produced by the pathways of primary or secondary metabolism. Within the field of medicinal chemistry, the definition is often further restricted to secondary metabolites. Secondary metabolites (or specialized metab ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
