Journal ArticleDOI
Synthesis of novel inhibitors of α-glucosidase based on the benzothiazole skeleton containing benzohydrazide moiety and their molecular docking studies
Muhammad Taha,Nor Hadiani Ismail,Salima Lalani,Muhammad Qaiser Fatmi,Atia-tul-Wahab,Salman Siddiqui,Khalid Mohammed Khan,Syahrul Imran,Muhammad Iqbal Choudhary +8 more
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TLDR
The predicted physico-chemical properties indicated the drug appropriateness for most of these compounds, as they obey Lipinski's rule of five (RO5), and a new class of α-glucosidase inhibitors was identified.About:
This article is published in European Journal of Medicinal Chemistry.The article was published on 2015-03-06. It has received 152 citations till now. The article focuses on the topics: Benzothiazole & Lipinski's rule of five.read more
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An overview of molecular hybrids in drug discovery.
TL;DR: This review covers the main research published between early 2013 to mid-2015 and takes into account several previous reviews on the subject, with particular attention given to anticancer hybrids.
Journal ArticleDOI
Re-exploring promising α-glucosidase inhibitors for potential development into oral anti-diabetic drugs: Finding needle in the haystack.
TL;DR: A review finds those "needles" in that haystack and lays groundwork for highlighting promising α-glucosidase inhibitors from the literature that may potentially become suitable candidates for pre-clinical or clinical trials while drawing attention of the drug development community to consider and take already-identified promisingα-glUCosid enzyme inhibitors into the next stage of drug development.
Journal ArticleDOI
Isatin based Schiff bases as inhibitors of α-glucosidase: Synthesis, characterization, in vitro evaluation and molecular docking studies.
Fazal Rahim,Fazal Malik,Hayat Ullah,Abdul Wadood,Fahad Khan,Muhammad Javid,Muhammad Taha,Wajid Rehman,Ashfaq Ur Rehman,Khalid Mohammed Khan +9 more
TL;DR: Isatin base Schiff bases (1-20) were synthesized, characterized by (1)H NMR and EI/MS and evaluated for α-glucosidase inhibitory potential and the binding interactions of these active analogs were confirmed through molecular docking.
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Synthesis of novel flavone hydrazones: in-vitro evaluation of α-glucosidase inhibition, QSAR analysis and docking studies.
Syahrul Imran,Muhammad Taha,Nor Hadiani Ismail,Syed Muhammad Kashif,Fazal Rahim,Waqas Jamil,Maywan Hariono,Muhammad Yusuf,Habibah A. Wahab +8 more
TL;DR: Increase in activity observed for compounds 2 to 34 clearly highlights the importance of flavone, hydrazide and hydrazone linkage in suppressing the activity of α-glucosidase.
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Synthesis, molecular docking, acetylcholinesterase and butyrylcholinesterase inhibitory potential of thiazole analogs as new inhibitors for Alzheimer disease.
Fazal Rahim,Muhammad Tariq Javed,Hayat Ullah,Abdul Wadood,Muhammad Taha,Muhammad Ashraf,Qurat-ul-Ain,Muhammad Anas Khan,Fahad Khan,Salma Mirza,Khalid Mohammed Khan +10 more
TL;DR: A series of thirty thiazole analogs were prepared, characterized by (1)H NMR, (13)C NMR and EI-MS and evaluated for Acetylcholinesterase and butyrylcholiersterase inhibitory potential, and exhibited well to moderate enzyme inhibition.
References
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VMD: Visual molecular dynamics
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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
Oleg Trott,Arthur J. Olson +1 more
TL;DR: AutoDock Vina achieves an approximately two orders of magnitude speed‐up compared with the molecular docking software previously developed in the lab, while also significantly improving the accuracy of the binding mode predictions, judging by tests on the training set used in AutoDock 4 development.
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Gabedit—A graphical user interface for computational chemistry softwares
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Inhibition of alpha-glucosidase and amylase by luteolin, a flavonoid.
TL;DR: Luteolin inhibited alpha-glucosidase by 36% at the concentration of 0.5 mg/ml and was stronger than acarbose, the most widely prescribed drug, in inhibitory potency, suggesting that it has the possibility to effectively suppress postprandial hyperglycemia in patients with non-insulin dependent diabetes mellitus.
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Antitumor benzothiazoles. 26.(1) 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (GW 610, NSC 721648), a simple fluorinated 2-arylbenzothiazole, shows potent and selective inhibitory activity against lung, colon, and breast cancer cell lines.
Catriona G. Mortimer,Geoffrey Wells,Jean-Philippe Crochard,Erica L. Stone,Tracey D. Bradshaw,Malcolm F. G. Stevens,Andrew D. Westwell +6 more
TL;DR: Mechanistically, this new series of agents contrasts with the previously reported 2-(4-aminophenyl)benzothiazoles; compound 8n is not reliant on induction of CYP1A1 expression for antitumor activity.