Borneo Journal of Pharmacy, 2023 Onchocerciasis is one of the major neglected tropical diseases caused by the filarial worm (Onchocerca volvulus), affecting an estimated population of about 37 million people living predominantly in tropical Africa.
Fabian Audu Ugbe +3 more
doaj +1 more source
ELECTRON WITHDRAWING GROUP EFFECT ON BIOLOGICAL ACTIVITIES OF PYRIMIDINE HYBRIDS AS POTENTIAL ANTI-MATRIX METALLOPROTEINASE-7 [PDF]
Química Nova, 2023 We investigated the effect of both electron donating group and e//lectron withdrawing group on biological activity of pyrimidine-based compounds as metalloproteinase-7 inhibitors and predicting a library of drug-like compounds with potent cytotoxicity ...
Abel Kolawole Oyebamiji +7 more
doaj +1 more source
Risk assessment of honey bee stressors based on in silico analysis of molecular interactions
EFSA Journal, 2022 A global decline of the honey bee Apis mellifera has been observed in the last decades. This pollinator plays a fundamental role in food production and the economy in Europe.
Mónica delÁguila Conde +1 more
doaj +1 more source
Christian Journal for Global Health, 2017 Life saving midwifery knowledge must reach the key influential stakeholders in developing countries if the maternal death rate is to be reduced. The church holds the influence and has the networks and training institutions that can be fully expanded to ...
Margaret Lynne Docking
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Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach. [PDF]
, 2017 Ligand docking to flexible protein molecules can be efficiently carried out through ensemble docking to multiple protein conformations, either from experimental X-ray structures or from in silico simulations.
Abagyan, Ruben +2 more
core +2 more sources
A real-time proximity querying algorithm for haptic-based molecular docking [PDF]
, 2014 Intermolecular binding underlies every metabolic and regulatory processes of the cell, and the therapeutic and pharmacological properties of drugs.
Bayazit +44 more
core +1 more source
Cell-Dock: high-performance protein–protein docking [PDF]
Bioinformatics, 2012 Abstract Summary: The application of docking to large-scale experiments or the explicit treatment of protein flexibility are part of the new challenges in structural bioinformatics that will require large computer resources and more efficient algorithms. Highly optimized fast Fourier transform (FFT) approaches are broadly used in docking
Carles, Pons +6 more
openaire +2 more sources
Some Chemical Properties and Biological Activity of an Endemic Plant Tripleurospermum callosum as a Case Study [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2022 T. callosum an endemic plant, used in this study, efficiently inhibited enzymes, with IC50 values of 28.87 mg/mL, 15.75 mg/mL, 36.47 mg/mL, and 60.0 mg/mL, for AChE, BChE, α-Gly, and GST respectively.
Abdulmelik Aras
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Inorganics, 2021 The main goal of this work was to report the synthesis, characterization, and cytotoxicity study of a novel copper(II)-sunitinib complex, CuSun. It has been synthesized and characterized in solid state and in solution by different methods (such as DFT ...
Facundo Tarasi +8 more
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Structural Analysis and Mutational Assessment of the Photosystem II Chlorophyll-Binding Protein (CP47) in the Cyanobacterium Synechocystis sp. PCC 6803: Modeling and Simulation Study [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2023 CP47 is one of the essential components of photosystem II (PSII) in green plants, green algae, and cyanobacteria; which is involved in the light reactions of photosynthesis.
Mehr Ali Mahmood Janlou +3 more
doaj +1 more source