scholarly journals Synthesis, molecular modeling and biological evaluation of aza-flavanones as α-glucosidase inhibitors

MedChemComm ◽  
2017 ◽  
Vol 8 (8) ◽  
pp. 1618-1630 ◽  
Author(s):  
Sivaprasad Kasturi ◽  
Sujatha Surarapu ◽  
Chandra Chary Bathoju ◽  
Srinivas Uppalanchi ◽  
Shubham Dwivedi ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Inhibitory Activity ◽  
Biological Evaluation ◽  
Reference Standards ◽  
Glucosidase Inhibitors ◽  
Acid Catalyzed

An efficient acid catalyzed methodology has been employed to synthesize a variety of aza-flavanones and their α-glucosidase inhibitory activity is evaluated using acarbose, miglitol and voglibose as reference standards.

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.

Synthesis, molecular modeling and biological evaluation of cinnamic acid derivatives with pyrazole moieties as novel anticancer agents

RSC Advances ◽  
2014 ◽  
Vol 4 (70) ◽  
pp. 37197-37207 ◽  
Author(s):  
Wei-Ming Zhang ◽  
Man Xing ◽  
Ting-Ting Zhao ◽  
Yu-Jia Ren ◽  
Xian-Hui Yang ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Cinnamic Acid ◽  
Anticancer Agents ◽  
Inhibitory Activity ◽  
Anticancer Agent ◽  
Biological Evaluation ◽  
Cinnamic Acid Derivatives ◽  
Her 2

Compound 30e with potent EGFR and HER-2 inhibitory activity may be a potential anticancer agent.

scholarly journals Synthesis and Biological Evaluation of New Substituted 3-[4-(Phenylsulfonamido)benzoyl]-2H-1-benzopyran-2-one Derivatives asα-Glucosidase Inhibitors

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Yu-ling Wang ◽  
Ting-jian Zhang ◽  
Jing-wei Liang ◽  
Fan-hao Meng ◽  
Shao-jie Wang
Keyword(s):  
Inhibitory Activity ◽  
Methoxy Group ◽  
Biological Activities ◽  
Biological Evaluation ◽  
Glucosidase Inhibitors ◽  
Further Development ◽  
Synthesis And Biological Evaluation

A series of new substituted 3-[4-(phenylsulfonamido)benzoyl]-2H-1-benzopyran-2-one derivatives bearing groups methoxy,tert-butyl, and atoms of halogens at thepara-position of the A-ring were synthesized andin vitrobiological activities were evaluated as nonsugarα-glucosidase inhibitors. Most of the test compounds demonstrated significantα-glucosidase inhibitory activity relative to that of Acarbose (IC50= 29.26 μM). Thepara-substitution with a methoxy group or halogens could notably increase the potency. Compounds17,18, and23, with IC50values of 0.025 μM, 0.014 μM, and 0.018 μM, respectively, may be of significance for the further development of new nonsugarα-glucosidase inhibitors.

Synthesis, biological evaluation and molecular modeling of 1H-benzo[d]imidazole derivatives as novel anti-tubulin polymerization agents

RSC Advances ◽  
2015 ◽  
Vol 5 (91) ◽  
pp. 74425-74437 ◽  
Author(s):  
Fang Wang ◽  
Xue Wang ◽  
Min-Xia Zhang ◽  
Yong-Hua Yang ◽  
Hai-Liang Zhu
Keyword(s):  
Molecular Modeling ◽  
Inhibitory Activity ◽  
Biological Evaluation ◽  
Tubulin Polymerization ◽  
Imidazole Derivatives ◽  
Growth Inhibitory ◽  
Growth Inhibitory Activity ◽  
Imidazole Compound

A series of novel compounds (8a–21b) were designed and synthesized based on 2-phenyl-1H-benzo[d]imidazole. Compound 18b showed the most potent in vitro growth inhibitory activity and significant tubulin polymerization inhibitory activity.

Synthesis, molecular modeling, and biological evaluation of quinazoline derivatives containing the 1,3,4-oxadiazole scaffold as novel inhibitors of VEGFR2

RSC Advances ◽  
2015 ◽  
Vol 5 (26) ◽  
pp. 19914-19923 ◽  
Author(s):  
Fang Qiao ◽  
Yong Yin ◽  
Yu-Ning Shen ◽  
She-Feng Wang ◽  
Shao Sha ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Inhibitory Activity ◽  
Anticancer Agent ◽  
Biological Evaluation ◽  
Quinazoline Derivatives ◽  
Inhibitory Activities ◽  
Potent Inhibitory Activity ◽  
Mcf 7

A series of 4-alkoxyquinazoline derivatives containing the 1,3,4-oxadiazole scaffold were designed and synthesized. Their inhibitory activities were tested against A549, MCF-7 and Hela. 4j showed the most potent inhibitory activity and may be a potential anticancer agent.

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.

Design, Synthesis, Molecular Docking and Biological Evaluation of 1-(benzo[d]thiazol-2-ylamino)(phenyl)methyl)naphthalen-2-ol Derivatives as Antiproliferative Agents

2019 ◽  
Vol 16 (10) ◽  
pp. 837-845
Author(s):  
Sandhya Jonnala ◽  
Bhaskar Nameta ◽  
Murthy Chavali ◽  
Rajashaker Bantu ◽  
Pallavi Choudante ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Inhibitory Activity ◽  
Chinese Hamster Ovary Cells ◽  
Chinese Hamster ◽  
Mouse Skin ◽  
Coupling Reaction ◽  
Binding Mode ◽  
Biological Evaluation ◽  
Design Synthesis

A class of 1-((benzo[d]thiazol-2-ylamino)(phenyl)methyl)naphthalen-2-ol derivatives (4a-t) has been synthesized in good yields through a three component coupling reaction. The newly synthesized compounds were evaluated for their in vitro antiproliferative activity against five cell lines such as DU145 (human prostate cancer), MDA-MB-B231 (human breast cancer), SKOV3 (human ovarian cancer), B16-F10 (mouse skin melanoma) and CHO-K1 (Chinese hamster ovary cells), a noncancerous cell line. In vitro inhibitory activity indicates that compounds 4a, 4b, 4c, 4d, 4g, 4j, and 4o exhibited potent anti-proliferative behavior. Among them, compounds 4g, 4j and 4o found to be the most active members exhibiting remarkable growth inhibitory activity. Molecular docking facilitates to investigate the probable binding mode and key active site interactions in tubulins α and β proteins. The docking results are complementary to experimental results.

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
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