药效学2
... Ligand binding tests：KD；KB In vitro effect test：EC50, pD2（negative log molar concentration of the agonist which produces 50％ of the maximal effect） ...
... Ligand binding tests：KD；KB In vitro effect test：EC50, pD2（negative log molar concentration of the agonist which produces 50％ of the maximal effect） ...
IOSR Journal of Pharmacy and Biological Sciences (IOSR-JPBS) e-ISSN: 2278-3008.
... bank (rscb.org).AutodockVina was used for docking in this study. AutodockVina is the latest version of Autodock it provides speed and accuracy and it accepts the ligand and the target protein in pdb format. The pdb files of the macromolecule 2HCK and ligand were placed in a newly made folder. The pd ...
... bank (rscb.org).AutodockVina was used for docking in this study. AutodockVina is the latest version of Autodock it provides speed and accuracy and it accepts the ligand and the target protein in pdb format. The pdb files of the macromolecule 2HCK and ligand were placed in a newly made folder. The pd ...
Chapter 2 - VU Research Portal
... molecular determinants of ligands and receptors that are responsible for affinity and selectivity. Ultimately, this understanding will lead to more efficient drug discovery and hit optimization. The studies in this thesis involve computational approaches that are strongly supported by experimental d ...
... molecular determinants of ligands and receptors that are responsible for affinity and selectivity. Ultimately, this understanding will lead to more efficient drug discovery and hit optimization. The studies in this thesis involve computational approaches that are strongly supported by experimental d ...
Physicochemical properties of drug action
... • Synthesis compounds: either pure synthesis or synthesis naturally occurring compounds (e.g. morphine, atropine, steroids and cocaine) to reduce their cost. • Semi-synthesis compounds: Some compounds either can not be purely synthesized or can not be isolated from natural sources in low cost. There ...
... • Synthesis compounds: either pure synthesis or synthesis naturally occurring compounds (e.g. morphine, atropine, steroids and cocaine) to reduce their cost. • Semi-synthesis compounds: Some compounds either can not be purely synthesized or can not be isolated from natural sources in low cost. There ...
Receptor pharmacology
... Nevertheless all physicians prescribe drugs, and research scientists will all inevitably use pharmacology as a tool at some point in their research. Thus, despite the poor reputation that pharmacology has in today’s post-genomic era (“all drugs are dirty”), pharmacology continues to be ubiquitous, a ...
... Nevertheless all physicians prescribe drugs, and research scientists will all inevitably use pharmacology as a tool at some point in their research. Thus, despite the poor reputation that pharmacology has in today’s post-genomic era (“all drugs are dirty”), pharmacology continues to be ubiquitous, a ...
Introduction to Medicinal Chemistry
... • Synthesis compounds: either pure synthesis or synthesis naturally occurring compounds (e.g. morphine, atropine, steroids and cocaine) to reduce their cost. • Semi-synthesis compounds: Some compounds either can not be purely synthesized or can not be isolated from natural sources in low cost. There ...
... • Synthesis compounds: either pure synthesis or synthesis naturally occurring compounds (e.g. morphine, atropine, steroids and cocaine) to reduce their cost. • Semi-synthesis compounds: Some compounds either can not be purely synthesized or can not be isolated from natural sources in low cost. There ...
A1988Q213800002
... specific activity than expected, we retained 1 mCi and had the rest (about 9 mCi) retrittated. The result was that all of the radioactivity was lost The explanation: the double bond of the ethene bridge of etorphmne was too hindered to be reduced under the mild conditions employed. The tritium was t ...
... specific activity than expected, we retained 1 mCi and had the rest (about 9 mCi) retrittated. The result was that all of the radioactivity was lost The explanation: the double bond of the ethene bridge of etorphmne was too hindered to be reduced under the mild conditions employed. The tritium was t ...
Pharmacodynamics (08)
... The properties of a competitive antagonist and how it differs from an irreversible receptor agonist The definition of LD50 The concept of a therapeutic index and how it is calculated ...
... The properties of a competitive antagonist and how it differs from an irreversible receptor agonist The definition of LD50 The concept of a therapeutic index and how it is calculated ...
Potential New Therapeutic Agents: Effects on HIV Replication and Viral Escape
... antiretrovirals used for treatment. HIV entry requires the binding of the viral particles to the CD4 receptor and a coreceptor through the viral envelope glycoprotein gp120, triggering structural changes in gp41 that promote the fusion of the viral and host cell membranes and viral core release into ...
... antiretrovirals used for treatment. HIV entry requires the binding of the viral particles to the CD4 receptor and a coreceptor through the viral envelope glycoprotein gp120, triggering structural changes in gp41 that promote the fusion of the viral and host cell membranes and viral core release into ...
lec.11-426
... All potent compounds have 4-fluorophenylgroup, except anisoperidone which has a methoxy group in the para position f phenyl ring. 2. Reduction of the carbonyl group to –CHOH, as well as replacement by oxygen or sulfur decrease neuroleptic potency, whereas replacement of the ketone by a sulfone resul ...
... All potent compounds have 4-fluorophenylgroup, except anisoperidone which has a methoxy group in the para position f phenyl ring. 2. Reduction of the carbonyl group to –CHOH, as well as replacement by oxygen or sulfur decrease neuroleptic potency, whereas replacement of the ketone by a sulfone resul ...
Mechanisms of Therapeutic Actions and Adverse Side Effects
... Each atypical antipsychotic agent has a binding profile that differs from other antipsychotics. An antipsychotic’s binding profile is a summation of the receptors to which it binds, the strength of the binding to individual receptor types (binding affinity or Ki), and the action of the drug on that ...
... Each atypical antipsychotic agent has a binding profile that differs from other antipsychotics. An antipsychotic’s binding profile is a summation of the receptors to which it binds, the strength of the binding to individual receptor types (binding affinity or Ki), and the action of the drug on that ...
4) Van der waals interaction
... temporary transient polarization in the adjacent molecules so make interaction between them . 5) Hydrophobic interaction: (-0.7 kCal/mol) per methyl group. -No H2O -No change ( +Ve , -Ve) -All the interactions depend on the Enthalpy Changes of energy EXCEPT the hydrophobic interaction , the only in ...
... temporary transient polarization in the adjacent molecules so make interaction between them . 5) Hydrophobic interaction: (-0.7 kCal/mol) per methyl group. -No H2O -No change ( +Ve , -Ve) -All the interactions depend on the Enthalpy Changes of energy EXCEPT the hydrophobic interaction , the only in ...
5HT1F- and 5HT7-Receptor Agonists for the Treatment of Migraines
... were no cardiovascular effects (assessed by blood pressure, pulse, or ECG). The compound had good oral bioavailability with a tmax, between 1 and 2 h and an elimination half-life of 15 h [42]. Subsequently, data from phase II studies have been published showing that oral doses of 60 and 200 mg of LY ...
... were no cardiovascular effects (assessed by blood pressure, pulse, or ECG). The compound had good oral bioavailability with a tmax, between 1 and 2 h and an elimination half-life of 15 h [42]. Subsequently, data from phase II studies have been published showing that oral doses of 60 and 200 mg of LY ...
Cimetidine - Clemson University
... at the receptor located on the basolateral membrane of the parietal cell. • This results in reduction of gastric volume and acidity. It also decreases the amount of gastric acid released in response to other stimuli. ...
... at the receptor located on the basolateral membrane of the parietal cell. • This results in reduction of gastric volume and acidity. It also decreases the amount of gastric acid released in response to other stimuli. ...
Allergy and Immunology Review Corner: Chapter 87 of
... In studies in volunteers inoculated a with rhinoviruses, some first-generation H1antihistamines such as chlorpheniramine and clemastine have been reported to reduce symptoms during colds, due in part to their antimuscarinic, anticholinergic actions. In this model, loratadine, desloratadine, and othe ...
... In studies in volunteers inoculated a with rhinoviruses, some first-generation H1antihistamines such as chlorpheniramine and clemastine have been reported to reduce symptoms during colds, due in part to their antimuscarinic, anticholinergic actions. In this model, loratadine, desloratadine, and othe ...
Maraviroc (Selzentry)
... Novel Mechanism of Action • HIV Entry Inhibitors Enfuvirtide- synthetic peptide that mimics amino acids of HIV transmembrane protein (gp41), which is critical for viral/CD4 cell membrane fusion. Maraviroc- HIV surface protein (gp120) binds to CD4 surface protein, acting as an anchor, then addition ...
... Novel Mechanism of Action • HIV Entry Inhibitors Enfuvirtide- synthetic peptide that mimics amino acids of HIV transmembrane protein (gp41), which is critical for viral/CD4 cell membrane fusion. Maraviroc- HIV surface protein (gp120) binds to CD4 surface protein, acting as an anchor, then addition ...
Module 1: Human Immunodeficiency Virus and Antiretroviral Therapy
... initiating ART and for those entering pregnancy with detectable viral load while on ART ...
... initiating ART and for those entering pregnancy with detectable viral load while on ART ...
Receptor-based virtual screening solution. SELENE is a
... SELENE gives structural data as the binding mode of the compound in the target pocket which can be used for improving the activity of small molecules. SELENE uses Docking algorithms based on Vina 1 & Autodock 4.2 2 ...
... SELENE gives structural data as the binding mode of the compound in the target pocket which can be used for improving the activity of small molecules. SELENE uses Docking algorithms based on Vina 1 & Autodock 4.2 2 ...
Pharmacophore Approach in Drug Discovery
... SOSA = Selective Optimization of Side Activities 1 – Start screening with a limited set of carefully chosen, structurally diverse, drug molecules (a smart library of about 1000 compounds). Already bioavailability and toxicity studies have been performed and as they have proven usefulness in human th ...
... SOSA = Selective Optimization of Side Activities 1 – Start screening with a limited set of carefully chosen, structurally diverse, drug molecules (a smart library of about 1000 compounds). Already bioavailability and toxicity studies have been performed and as they have proven usefulness in human th ...
united states securities and exchange commission - corporate
... CERC-301 is an oral, NR2B specific N-methyl-D-aspartate receptor antagonist that is currently in a Phase 2 clinical trial as an oral, rapidly acting adjunctive treatment for patients with severe major depressive disorder (“MDD”) who are failing to achieve an adequate response to their current antide ...
... CERC-301 is an oral, NR2B specific N-methyl-D-aspartate receptor antagonist that is currently in a Phase 2 clinical trial as an oral, rapidly acting adjunctive treatment for patients with severe major depressive disorder (“MDD”) who are failing to achieve an adequate response to their current antide ...
07 Adrenoceptor-antagonist
... migraine, cirrhosis with varices, and congestive heart failure), it should not be assumed that all members of this class of drugs are interchangeable; the appropriate drug should be selected from those that have documented efficacy for the disease • For example in heart failure clinical trials have ...
... migraine, cirrhosis with varices, and congestive heart failure), it should not be assumed that all members of this class of drugs are interchangeable; the appropriate drug should be selected from those that have documented efficacy for the disease • For example in heart failure clinical trials have ...
EGFR TYROSINE KINASE TARGETED COMPOUNDS: IN VITRO
... aimed at further exploration of the SAR of this novel template, led to the discovery of highly selective compounds that target EGFR. Benzothiazoles act via competing with ATP for binding at the catalytic domain of EGFR-TK (Noolvi et al., 2012). The characteristic features of ATP binding site are; ad ...
... aimed at further exploration of the SAR of this novel template, led to the discovery of highly selective compounds that target EGFR. Benzothiazoles act via competing with ATP for binding at the catalytic domain of EGFR-TK (Noolvi et al., 2012). The characteristic features of ATP binding site are; ad ...
Anti- muscarinic agents
... • Toxicity due to over dose of physostigmine and other anticholinesterases • Atropine is used to treat this condition by blocking all M receptors. ...
... • Toxicity due to over dose of physostigmine and other anticholinesterases • Atropine is used to treat this condition by blocking all M receptors. ...
CCR5 receptor antagonist
CCR5 receptor antagonists are a class of small molecules that antagonize the CCR5 receptor. The C-C motif chemokine receptor CCR5 is involved in the process by which HIV, the virus that causes AIDS, enters cells. Hence antagonists of this receptor are entry inhibitors and have potential therapeutic applications in the treatment of HIV infections.The life cycle of the HIV presents potential targets for drug therapy, one of them being the viral entry pathway. The C-C motif chemokine receptors CCR5 and CXCR4 are the main chemokine receptors involved in the HIV entry process. These receptors belong to the seven transmembrane G-protein-coupled receptor (GPCR) family and are predominantly expressed on human T-cells, dendritic cells and macrophages, Langerhans cells. They play an important role as co-receptors that HIV type 1 (HIV-1) uses to attach to cells before viral fusion and entry into host cells. HIV isolates can be divided into R5 and X4 strains. R5 strain is when the virus uses the co-receptor CCR5 and X4 strain is when it uses CXCR4. The location of CCR5 receptors at the cell surface, both large and small molecules have the potential to interfere with the CCR5-viral interaction and inhibit viral entry into human cells.