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Molecular modeling of HIV-1 reverse
Molecular modeling of HIV-1 reverse

... dNTP binding site is less severe than with other mutations. Some mutations (shown in red) do not lead to a measurable reduction in polymerase activity in our assay. K103N and V179D have activities identical with that of wild-type RT. Consistent with these data, alterations to those two residues do n ...
Intratympanic steroid injection for inner ear disease
Intratympanic steroid injection for inner ear disease

... Plontke et al developed a more advanced three-dimensional simulation model to assist in both drug and drug delivery system design [47]. This method can assist in understanding the existence of substantial drug gradients across the scalae in the basal turn of the cochlea. In addition, the development ...
Combined fluorescence and electrochemical investigation on the
Combined fluorescence and electrochemical investigation on the

... seven fatty acid binding sites, sites 2, 4 and 5 are high affinity sites, while sites 1, 3, 6 and 7 exhibit low affinity for fatty acids (Simard et al., 2006). The unique ligand binding properties of HSA also include binding of a large number of exogenous compounds such as drugs. High-affinity drug bindin ...


... g) The protease enzyme must be able to bind to the target amino acids. If they are buried inside the target protein, the protease can't "see" them and therefore can't cut at them. Eventually, the structure of the target protein gets so broken down that the inside amino acids are exposed to the prote ...
Clinical and experimental studies on theophylline
Clinical and experimental studies on theophylline

... Summary and Conclusion • These experimental studies show that theophylline-induced anxiety and tachycardia may be due to oxidative stress, and antioxidants may have protective role • Thus it could be speculated that treatment with antioxidants may be helpful in preventing such ADRs due to theophyll ...
PowerPoint Chapter 5
PowerPoint Chapter 5

... The Pediatric Patient (cont.)  Variables have a profound impact on drug absorption  No gastric acid present at birth  No intestinal bacteria or enzyme function present  Delayed gastrointestinal transit time  Immaturity of liver, kidney, and renal excretion systems ...
Sedimentation Velocity Analytical Ultracentrifugation as a Method for
Sedimentation Velocity Analytical Ultracentrifugation as a Method for

... The SV AUC assay provides a series of sedimentation profiles, which are then deconvoluted to produce a size distribution plot. The fitting algorithm used in our analysis is from the program SEDFIT, making use of a c(s) distribution model. The c(s) distribution functions for empty virions and an AAV ...
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QUANTITATIVE ANALYSIS OF DOSE
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... 1. A quantitative definition of summation is required since synergism implies more than summation and antagonism less than summation of effects. 2. Dose-effect relationships for drug 1, drug 2 and their mixture (at a known ratio of drug 1 to drug 2) are required. a. Measurements made with single dos ...
The transcriptional regulator CprK detects chlorination by combining
The transcriptional regulator CprK detects chlorination by combining

... (each with distinct DNA-binding affinities) are populated to significant levels [20]. By contrast, it has been proposed that CprK exhibits either extreme positive or no cooperativity, both effectively leading to an equilibrium between unbound and fully bound CprK [16]. In the latter case, this presu ...
MODIFIED DIBUTYRYLCHITIN FILMS AS MATRICES FOR
MODIFIED DIBUTYRYLCHITIN FILMS AS MATRICES FOR

... Analysis of active substance release from transdermal systems is an important area of scientific research for human health. Transdermal systems are presently more commonly [1 - 4] used. They are thin, single or multilayer membranes of any shape and size. Films are an alternative to standard forms of ...
Jemds.com
Jemds.com

... Apart from the saliva/serum ratios, pharmacokinetics of rifampicin in saliva is evaluated for group I and group II subjects. Rifampicin metabolites 25-o-desacetyl rifampicin and rifampicin quinone were found to have small amounts of antimicrobial activity. Some of the studies done on the basis of mi ...
Studies of a benzoporphyrin derivative with Pluronics and D. Dolphin
Studies of a benzoporphyrin derivative with Pluronics and D. Dolphin

... decrease in pKa; this effect was caused by a Pluronic micelle forcing molecules of 2 inside the micelle core (away from the micelle surface). Consequently, the porphyrin is exposed to a less hydrophilic environment (18). An abrupt change in pKa was observed between 0.04% and 0.06% (6.4 to 5.8). This ...
design and evaluation of medicated antiemetic lozenges
design and evaluation of medicated antiemetic lozenges

... Like the trend worldwide, India is undergoing rapid urbanization. Several fold increase in travel is due to population growth and increasing economic activities and also increases problems related to the health like motion sickness, traveller’s diarrhea vomiting etc. The key to successful drug deliv ...
Gabapentenoid Abuse - Indiana Pharmacists Alliance
Gabapentenoid Abuse - Indiana Pharmacists Alliance

... The speaker has no actual or potential conflicts of interest to disclose ...
EURYCOMA  LONGIFOLIA Research Article  PURWANTININGSIH
EURYCOMA  LONGIFOLIA Research Article  PURWANTININGSIH

... of  these products focus on  the  aphrodisiac  property  9,10,11. The  root  of  this  plant  is  used  as  traditional  medicine  such  as  for  healing  of  boils,  wound  ulcer  and  for  fever  12.  Several  classes  of  chemical  constituents have been isolated and characterized from the root a ...
fullcvenglish_tmavromous
fullcvenglish_tmavromous

... a. Solid State Nuclear Magnetic Resonance in order to study the dynamic changes it causes the antihypertensive drug in the lipid bilayers. In addition, the orientation of drugs in lipid bilayers is sought using deuterium NMR in collaboration with synthetic chemists who deuterate specific sites of dr ...
Detox regimens for party drugs
Detox regimens for party drugs

... heroin(Winstock & Mitcheson, 2012). In part this view is held and reinforced by the lack of knowledge on such substances and the dearth of academic literature on their management. However it is clear that these drugs are associated not only with the general risks of intoxication but also with well-d ...
CBCS Pharmaceutical Chemistry20 09-10 OUCW
CBCS Pharmaceutical Chemistry20 09-10 OUCW

... plate viscometer. Viscoelasity (introduction only), psychorheology & applications to pharmacy. (problems to be discussed wherever necessary) Ph.C-03 Physical pharmacy Physical properties of drug molecules: Dielectric constant, Induced polarization, refractive index, molar refraction , optical rotati ...
APPENDIX-A CHEMICAL COMPOUNDS
APPENDIX-A CHEMICAL COMPOUNDS

... 1. ANDERSEN CASCADE IMPACTOR (ACI) (Adapted from BP, 2001 ; Mitchell and Nagel, 2004 ; USP 25, 2002) ACI is assembled from several stages with progressively decreasing cut sizes (Figure B.1), so that an incoming aerosol is size separated into the same number of fractions as there are 8 stages. For i ...
Aging Biology and Geriatric Clinical Pharmacology
Aging Biology and Geriatric Clinical Pharmacology

... Declines have been reported with advancing age in the activity of the mitochondrial respiratory system and its constituent enzymes, notably cytochrome c oxidase, in a range of tissues including skeletal muscle, heart, and liver (Muller-Hocker, 1989 ). Integrity of the mitochondrial DNA in these tiss ...
Slide ()
Slide ()

... A: The percentage of receptor occupancy resulting from full agonist (present at a single concentration) binding to receptors in the presence of increasing concentrations of a partial agonist. Because the full agonist (filled squares) and the partial agonist (open squares) compete to bind to the same ...
Temperature and pH stimuli-responsive polymers
Temperature and pH stimuli-responsive polymers

... The ideal drug delivery system is the one in which the drug delivery profile is able to respond to metabolic states and/or physiological variations (Bawa et al., 2009). This kind of system relies on two premises: the first is the temporal drug modulation according the physiological needs and the sec ...
Ketamine
Ketamine

... anesthetic level doses, Ketamine has also been found to bind to opioid receptors and sigma receptors.  The drug was first given to American soldiers during the Vietnam War. * NB not associated with MDMA ...
ROUTE OF DRUG ADMINISTRATION AND EXTRAHEPATIC DRUG
ROUTE OF DRUG ADMINISTRATION AND EXTRAHEPATIC DRUG

... The rate of elimination of the metabolite may be faster or slow er than the rate of formation of the metabolite from the drug. Generally, metabolites such as glucuronide, sulfate, or glycine conjugates are more polar or more w ater soluble than the parent drug and w ill be eliminated more rapidly th ...
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Drug design



Drug design, sometimes referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it. Drug design frequently but not necessarily relies on computer modeling techniques. This type of modeling is often 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 molecules, biopharmaceuticals and especially therapeutic antibodies are an increasingly important class of drugs and computational methods for improving the affinity, selectivity, and stability of these protein-based therapeutics have also been developed.The phrase ""drug design"" is to some extent a misnomer. A more accurate term is ligand design (i.e., design of a molecule that will bind tightly to its target). Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, side effects, etc., that first must be optimized before a ligand can become a safe and efficacious drug. These other characteristics are often difficult to predict with rational design techniques. Nevertheless, due to high attrition rates, especially during clinical phases of drug development, more attention is being focused early in the drug design process on selecting candidate drugs whose physicochemical properties are predicted to result in fewer complications during development and hence more likely to lead to an approved, marketed drug. Furthermore, in vitro experiments complemented with computation methods are increasingly used in early drug discovery to select compounds with more favorable ADME (absorption, distribution, metabolism, and excretion) and toxicological profiles.
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