Diaryl Dihydropyrazole-3-carboxamides with Significant In Vivo Antiobesity Activity Related to CB1 Receptor Antagonism:  Synthesis, Biological Evaluation, and Molecular Modeling in the Homology Model†

2007 ◽  
Vol 50 (24) ◽  
pp. 5951-5966 ◽  
Author(s):  
Amit Joharapurkar ◽  
Saurin Raval ◽  
Jayendra Z. Patel ◽  
Rina Soni ◽  
Preeti Raval ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Homology Model ◽  
Biological Evaluation ◽  
Cb1 Receptor ◽  
Receptor Antagonism

125I –Amoxicillin preparation as a guide tracer for inflammation detection

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Marwa S. El Refaye ◽  
Dina M. El-Sharawy ◽  
Heba Hussien
Keyword(s):  
Molecular Modeling ◽  
Electrophilic Substitution ◽  
Radioactive Iodine ◽  
Biological Evaluation ◽  
Oxidizing Agent ◽  
Inflammation Imaging ◽  
Iodination Reaction ◽  
Exogenous Agents

Abstract The objective of this study is to label Amoxicillin with radioactive iodine (125I-AC) via direct electrophilic substitution to act as a promising tracer for inflammation imaging. The highest labeling yield of 80% was achieved after studying all the parameters affecting the labeling reaction using Iodogen (IG) as an oxidizing agent. Molecular Modeling Structure was done using MOE program to predict the suitable 125I position. The product structure was established by a cold iodination reaction using Iodine-127. Biological evaluation of (125I-AC) was carried out using groups of inflamed mice with different exogenous agents such as E.Coli and Turpentine oil. The (125I-AC) shows an in vitro stability of about 97% after 24 h.While doing in vivo studies over 4 h, the tracer stability of 99% was observed.

Synthesis, molecular modeling and biological evaluation of aza-proline and aza-pipecolic derivatives as FKBP12 ligands and their in vivo neuroprotective effects

2003 ◽  
Vol 11 (22) ◽  
pp. 4815-4825 ◽  
Author(s):  
Douglas E Wilkinson ◽  
Bert E Thomas ◽  
David C Limburg ◽  
Agnes Holmes ◽  
Hansjorg Sauer ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
Neuroprotective Effects

Novel GABAA Agonist Entities: Pharmacological Investigation and Molecular Modeling Study of Thiazolo- and Thiadiazolo-[3,2-a][1,3] diazepine Analogs

2020 ◽  
Vol 21 ◽  
Author(s):  
Hussein I. El-Subbagh
Keyword(s):  
Molecular Modeling ◽  
Drug Development ◽  
Biological Evaluation ◽  
Neuromuscular Blocking ◽  
Present Review ◽  
Pharmacological Investigation ◽  
Important Class ◽  
Pharmacological Activities ◽  
Short Acting ◽  
New Drug Development

Abstract:: Thiazolo- and thiadiazolo-[3,2-a][1,3]diazepines and their patented derivatives, tested with diverse CNS pharmacological activities, constitute an important class of compounds for new drug development. Therefore, research efforts were continued to design, synthesize, and evaluate compounds for their ultra-short, short-acting hypnotic, anticonvulsant, and neuromuscular blocking activities. The present review provides a summary of the work accomplished by these heterocycles and their biological evaluation.

3,4-Dihydropyrimidin-2(1H)-one C5 Amides as Inhibitors of T NFα Production: Synthesis, Biological Evaluation and Molecular Modeling

2017 ◽  
Vol 14 (8) ◽  
Author(s):  
Ahmad Ebadi ◽  
Mehdi Khoshneviszadeh ◽  
Katayoun Javidnia ◽  
Mohammad Hossein Ghahremani ◽  
Omidreza Firuzi ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation

Synthesis and Biological Evaluation of Scutellarein Alkyl Derivatives as Preventing Neurodegenerative Agents with Improved Lipid Soluble Properties

2019 ◽  
Vol 15 (7) ◽  
pp. 771-780
Author(s):  
He-Min Li ◽  
Ting Gu ◽  
Wen-Yu Wu ◽  
Shao-Peng Yu ◽  
Tian-Yuan Fan ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Neuronal Damage ◽  
Thiobarbituric Acid ◽  
Rat Hepatocytes ◽  
Biological Evaluation ◽  
Thiobarbituric Acid Reactive Substance ◽  
Alkyl Derivatives ◽  
Promising Therapeutic Approach ◽  
Microsomal Membranes

Background: Exogenous antioxidants are considered as a promising therapeutic approach to treat neurodegenerative diseases since they could prevent and/or minimize the neuronal damage by oxidation. Objective: Three series of lipophilic compounds structurally based on scutellarein (2), which is one metabolite of scutellarin (1) in vivo, have been designed and synthesized. Methods: Their antioxidant activity was evaluated by detecting the 2-thiobarbituric acid reactive substance (TBARS) produced in the ferrous salt/ascorbate-induced autoxidation of lipids, which were present in microsomal membranes of rat hepatocytes. The lipophilicity of these compounds indicated as partition coefficient between n-octanol and buffer was investigated by ultraviolet (UV) spectrophotometer. Results: This study indicated that compound 5e which had a benzyl group substituted at the C4'- OH position showed a potent antioxidant activity and good lipophilicity. Conclusion: 5e could be an effective candidate for preventing or reducing the oxidative status associated with the neurodegenerative processes.

Synthesis, Molecular Modeling and Biological Evaluation of 5-arylidene-N,N-diethylthiobarbiturates as Potential α-glucosidase Inhibitors

2019 ◽  
Vol 15 (2) ◽  
pp. 175-185 ◽  
Author(s):  
Momin Khan ◽  
Sehrish Khan ◽  
Amir Ul Mulk ◽  
Anis Ur Rahman ◽  
Abdul Wadood ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Barbituric Acid ◽  
Aromatic Aldehydes ◽  
Biological Evaluation ◽  
Distilled Water ◽  
Sound Effects ◽  
Glucosidase Inhibitors ◽  
Ic50 Values ◽  
Antiviral Activities ◽  
Barbituric Acid Derivatives

Background:Barbituric acid derivatives are a versatile group of compounds which are identified as potential pharmacophores for the treatment of anxiety, epilepsy and other psychiatric disorders. They are also used as anesthetics and have sound effects on the motor and sensory functions. Barbiturates are malonylurea derivatives with a variety of substituents at C-5 position showing resemblance with nitrogen and sulfur containing compounds like thiouracil which exhibited potent anticancer and antiviral activities. Recently, barbituric acid derivatives have also received great interest for applications in nanoscience.Objective:Synthesis of 5-arylidene-N,N-diethylthiobarbiturates, biological evaluation as potential α-glucosidase inhibitors and molecular modeling.Methods:In the present study, N,N-Diethylthiobarbituric acid derivatives were synthesized by refluxing of N,N-diethylthiobarbituric acid and different aromatic aldehydes in distilled water. In a typical reaction; a mixture of N,N-diethylthiobarbituric acid 0.20 g (1 mmol) and 5-bromo-2- hydroxybenzaldehyde 0.199 g (1 mmol) mixed in 10 mL distilled water and reflux for 30 minutes. After completion of the reaction, the corresponding product 1 was filtered and dried and yield calculated. It was crystallized from ethanol. The structures of synthesized compounds 1-25 were carried out by using 1H, 13C NMR, EI spectroscopy and CHN analysis used for the determination of their structures. The α-glucosidase inhibition assay was performed as given by Chapdelaine et al., with slight modifications and optimization.Results:Our newly synthesized compounds showed a varying degree of α-glucosidase inhibition and at least four of them were found as potent inhibitors. Compounds 6, 5, 17, 11 exhibited IC50 values (Mean±SEM) of 0.0006 ± 0.0002, 18.91 ± 0.005, 19.18 ± 0.002, 36.91 ± 0.003 µM, respectively, as compared to standard acarbose (IC50, 38.25 ± 0.12 µM).Conclusion:Our present study has shown that compounds 6, 5, 17, 11 exhibited IC50 values of 0.0006 ± 0.0002, 18.91 ± 0.005, 19.18 ± 0.002, 36.91 ± 0.003 µM, respectively. The studies were supported by in silico data analysis.

scholarly journals Zingiber zerumbet(L.) Smith: A Review of Its Ethnomedicinal, Chemical, and Pharmacological Uses

2011 ◽  
Vol 2011 ◽  
pp. 1-12 ◽  
Author(s):  
N. J. Yob ◽  
S. Mohd. Jofrry ◽  
M. M. R. Meor. Mohd. Affandi ◽  
L. K. Teh ◽  
M. Z. Salleh ◽  
...  
Keyword(s):  
Medicinal Plant ◽  
Traditional Medicine ◽  
Biological Evaluation ◽  
Perennial Herb ◽  
Zingiber Zerumbet ◽  
Tropical Countries ◽  
Traditional Uses ◽  
Worm Infestation

Zingiber zerumbetSm., locally known to the Malay as “Lempoyang,” is a perennial herb found in many tropical countries, including Malaysia. The rhizomes ofZ. zerumbet, particularly, have been regularly used as food flavouring and appetizer in various Malays' cuisines while the rhizomes extracts have been used in Malay traditional medicine to treat various types of ailments (e.g., inflammatory- and pain-mediated diseases, worm infestation and diarrhea). Research carried out using differentin vitroandin vivoassays of biological evaluation support most of these claims. The active pharmacological component ofZ. zerumbetrhizomes most widely studied is zerumbone. This paper presents the botany, traditional uses, chemistry, and pharmacology of this medicinal plant.

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