نتایج جستجو برای: synthesis docking adme

تعداد نتایج: 428524  

Journal: :Bioorganic & medicinal chemistry 2016
Mikhail Krasavin Alexey Lukin Nikolay Zhurilo Alexey Kovalenko Ihor Zahanich Sergey Zozulya Daniel Moore Irina G Tikhonova

Free fatty acid receptor 1 (FFA1), previously known as GPR40 is a G protein-coupled receptor and a new target for treatment of type 2 diabetes. Two series of FFA1 agonists utilizing a 1,3,4-thiadiazole-2-caboxamide scaffold were synthetized. Both series offered significant improvement of the potency compared to the previously described 1,3,4-thiadiazole-based FFA1 agonists and high selectivity ...

The present study reports a microwave-assisted method for the synthesis of twelve novel tricyclic 1,4-dihydropyridine derivatives in which dimethyl-substituted cyclohexane and / or tetrahydrothiophene rings are fused to the DHP ring. The structures of the compounds were confirmed by spectral methods and elemental analysis. The potassium channel opening effects of the compounds were determined o...

2017
Anca Stana Dan C. Vodnar Radu Tamaian Adrian Pîrnău Laurian Vlase Ioana Ionuț Ovidiu Oniga Brînduşa Tiperciuc

Twenty-three thiazolin-4-ones were synthesized starting from phenylthioamide or thiourea derivatives by condensation with α-monochloroacetic acid or ethyl α-bromoacetate, followed by substitution in position 5 with various arylidene moieties. All the synthesized compounds were physico-chemically characterized and the IR (infrared spectra), ¹H NMR (proton nuclear magnetic resonance), 13C NMR (ca...

2011
Balakrishnan Vijayakumar Appavoo Umamaheswari Ayarivan Puratchikody Devadasan Velmurugan

Histone deacetylases (HDACs) are enzymes, which catalyze the removal of acetyl moiety from acetyl-lysine within the histone proteins and promote gene repression and silencing resulting in several types of cancer. HDACs are important therapeutic targets for the treatment of cancer and related diseases. Hydroxamic acid inhibitors show promising results in clinical trials against carcinogenesis. 1...

2014
SOMYA ASTHANA TARUN AGARWAL INDRANIL BANERJEE SIRSENDU SEKHAR RAY

Objective: Asparagus racemosus, the source of Asparagamine A, has been known for its multifaceted therapeutic actions. But these actions have hardly been attributed to Asparagamine A, a polycyclic pyrrolizidine alkaloid. Methods: In the present study, a molecular docking of Asparagamine A with critical proteins associated with many diseases. Farnesyl Pyrophosphate Synthase (FPPS) in osteoporosi...

2017
DIVYA G NAIR

Lanosterol Synthase is an attractive target for antihypercholesterolemeic drug design. A set of 26 molecules having lanosterol synthase inhibitory activity was used for pharmacophoric hypothesis and atom based QSAR analysis. Inhibitory concentrations (pIC50) of these compounds were ranged from 7.452 to 8.721. Pharmacophoric hypothesis AAHPR.174 had the best survival score of 3.560. On the basis...

Journal: :Grail of science 2022

Due to the recent predicted affinity of 13 novel 5-phenyl-5,6-dihydrotetrazolo[1,5-c]-quinazolines ribosomal 50S protein L2P (2QEX) by molecular docking, their ADME properties were calculated at site SwissADME predict drug-likeness. Hence, substances 6, 10, and 12 appeared be leading compounds among all studied ones are definite interest for further in vitro antimicrobial activity investigation.

Journal: :Journal of Student Research 2021

In cruciferous vegetables such as broccoli, sulfur-rich isothiocyanates, most notably sulforaphane (SFN), has shown anti-cancer properties, including cell cycle regulation, inducing apoptosis, and metastasis. Sulforaphane is a natural antioxidant that regulates several signal transduction pathways controlling oxidative stress, cellular defense, cardiovascular disease. This paper attempts to elu...

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