Burger's Medicinal Chemistry and Drug Discovery

Abraham, Donald J.

doi:10.1002/0471266949

Cited by 144 publications

(111 citation statements)

References 36 publications

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“…This test is used to detect anti-extrapyramidal drugs, such as anticholinergic and anti-Parkinsonian agents (Abraham, 2003). Three groups of six animals were treated with either MH4b1 (100 mg/kg, p.o.…”

Section: Catalepsy Testmentioning

confidence: 99%

Anticonvulsant profile of 2-ethylthio-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine

Estrada

Insuasty

Suárez

et al. 2014

Braz. J. Pharm. Sci.

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This work evaluates the central nervous effects in ICR strain mice of 2-ethylthio-7-methyl-4-(4-methylphenyl)pyrazolo [1,5-a] [1,3,5]triazine (MH4b1), a compound obtained by an efficient one-step reaction of S,S-diethyl 4-methylbenzoylimidodithiocarbonate with 5-amino-3-methyl-1H-pyrazole, in order to assess its neuro-pharmacological profile. The tests applied were: maximal electroshock seizure (MES), pentylenetetrazole (PTZ) seizures, forced swimming, plus maze, marble burying, sleeping time, rota-rod and catalepsy. In addition, MH4b1 binding to the benzodiazepine site of the GABA-A receptor and MH4b1 inhibition of monoamine oxidase (MAO) subtypes A and B were evaluated. MH4b1 showed anticonvulsant effects in a dose dependent manner (30-300 mg/kg, p.o.) against MES and inhibition of MAO-B (IC 50 : 24.5 µM) without activity at the benzodiazepine site. These data suggest that MH4b1 has anticonvulsant properties related to MAO-B inhibition. Unitermos: Pirazol-triazina/perfil anticonvulsivante. Anticonvulsivantes/estudo experimental. Monoaminoxidase/inibidores.

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Section: Catalepsy Testmentioning

confidence: 99%

Anticonvulsant profile of 2-ethylthio-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine

Estrada

Insuasty

Suárez

et al. 2014

Braz. J. Pharm. Sci.

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“…Some of them also show remarkable activity as anticonvulsants and myorelaxants. Anxiety disorders (such as Generalized Anxiety Disorder -GAD, Social Phobia -SP, Social Anxiety Disorder -SAD, Panic Disorder -PD, ObsessiveCompulsive Disorder -OCD, Post-traumatic Stress Disorder -PTSD, and Specific Phobias) are the most common psychiatric diseases with incidence rates of around 16% to 25% [1][2][3]. In fact, epidemiological studies have shown that anxiety is the second leading cause of depression resulting in a large amount of work absenteeism and reduced productivity [2].…”

Section: Introductionmentioning

confidence: 99%

“…As a result, knowledge of their effectiveness in anxiety disorders may be incomplete and discrete. In clinical practice, BZs are used in generalized anxiety disorder with diazepam (1.a) as the most popular choice [1][2]. Response rates to therapy are high and the beginning of the therapeutic effect is immediate.…”

Section: Introductionmentioning

confidence: 99%

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Structural and electronic effects of the C2’ substituent in 1,4–benzodiazepines

Gomes¹,

Santos²,

Beleza³

et al. 2011

Eur. J. Chem.

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KEYWORDSBenzodiazepines are drugs used for treatment of several central nervous system disorders, such as anxiety and sleep. In spite of their wide and popular usage in clinics, the mechanism explaining why a certain pharmacological activity is superimposed onto another for a given benzodiazepine remains unclear. The knowledge of the conformation of benzodiazepines and their electronic charge distribution at molecular surfaces may give new insights into the pharmaco-benzodiazepine receptor interactions, contributing to the improvement of the existing models. In the present study, the solid state geometric and conformational parameters of the available X-ray benzodiazepine structures were analyzed and reviewed. The electronic features of two groups of benzodiazepines with different substituents at C7 and C2' positions were studied by DFT quantum chemical calculations. The conformations of the molecules with optimized geometry were also analyzed. The relative charge distribution around the benzodiazepinic rings and electrostatic potential mapped on electronic density surfaces were obtained. The ring geometric parameters for the diazepine moiety in 1,4-benzodiazepines, do not vary significantly except for a few compounds in which steric and/or intermolecular interactions play a part. The benzodiazepine ring assumes a pseudosymmetrical boat conformation and the torsion angle around the C5-Ph bond varies depending on the nature of the substituent on C2'. Also, the presence of the nitro or chloride substituent on the C7 position and the presence of a fluorine atom on the C2' position significantly alter the relative charge distributions at the attached carbon atoms and the topology of the surface electrostatic potential.Benzodiazepine DFT Structure characterization X-ray Fluoro Isoelectronic potential surfaces

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“…QSAR é uma tecnologia que gera descritores baseados em estruturas moleculares e usa algoritmos computacionais para relacionar os descritores principais com o valor da propriedade de interesse. 67 As técnicas de QSAR buscam identificar e quantificar as relações predominantes no complexo campo de modelagem, representadas pelas propriedades da estrutura química e atividade biológica, da estrutura química e propriedade, ou ainda, num paradigma mais moderno, pelas propriedades da estrutura química e propriedades de ADME (QSAR-ADME). 57,[68][69][70] No campo de ADME, o uso do QSAR é especialmente atrativo devido ao grande acúmulo de dados na literatura de algumas propriedades farmacocinéticas.…”

Section: Modelagem In Silico De Propriedades De Admeunclassified

Desenvolvimento de modelos in silico de propriedades de ADME para a triagem de novos candidatos a fármacos

Moda¹

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Burger's Medicinal Chemistry and Drug Discovery

Cited by 144 publications

References 36 publications

Anticonvulsant profile of 2-ethylthio-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine

Anticonvulsant profile of 2-ethylthio-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine

Structural and electronic effects of the C2’ substituent in 1,4–benzodiazepines

Desenvolvimento de modelos in silico de propriedades de ADME para a triagem de novos candidatos a fármacos

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