Results 21 to 30 of about 293,887 (293)

Molecular Docking Investigation, Pharmacokinetic Analysis, and Molecular Dynamic Simulation of Some Benzoxaborole-Benzimidazole Hybrids: An Approach to Identifying Superior Onchocerca Inhibitors

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, Gideon Adamu Shallangwa, Adamu Uzairu, Ibrahim Abdulkadir   +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, Sunday Adewale Akintelu, Kehinde Abraham Odelade, Babatunde Adetuyi, Emmanuel Temitope Akintayo, Cecillia Olufunke Akintayo, Banjo Semire, Jonathan Oyebamiji Babalola   +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, Ferdinando Febbraio   +1 more
doaj   +1 more source

Increasing the church’s relevance and impact in poor-resource areas by adding sexual reproductive health to missional activities

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
doaj   +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, Daniel, Jiménez-González, Cecilia, González-Álvarez, Harald, Servat, Daniel, Cabrera-Benítez, Xavier, Aguilar, Juan, Fernández-Recio   +6 more
openaire   +2 more sources

Synthesis and Characterization of Novel Copper(II)-Sunitinib Complex: Molecular Docking, DFT Studies, Hirshfeld Analysis and Cytotoxicity Studies

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, Priscila Ailín Lanza, Valeria Ferretti, Gustavo Alberto Echeverría, Oscar Enrique Piro, Maximiliano Cacicedo, Stephan Gehring, Ignacio Esteban León, María Soledad Islas   +8 more
doaj   +1 more source

Potential of Epidermal Growth Factor-like Peptide from the Sea Cucumber Stichopus horrens to Increase the Growth of Human Cells: In Silico Molecular Docking Approach

Marine Drugs, 2022
The sea cucumber is prominent as a traditional remedy among Asians for wound healing due to its high capacity for regeneration after expulsion of its internal organs.
Nur Shazwani Mohd Pilus, Azira Muhamad, Muhammad Ashraf Shahidan, Nurul Yuziana Mohd Yusof   +3 more
doaj   +1 more source

Research on the Motion and Dynamic Characteristics of the Hose-and-Drogue System under Bow Wave

Aerospace, 2023
To study the hose-and-drogue system’s motion under bow waves, this paper established a dynamic model of the hose-and-drogue system based on the multibody dynamics theory and the rigid ball-and-rod model.
Chunjie Zheng, Haitao Wang, Lanxiang Hu, Yuanli Cai   +3 more
doaj   +1 more source

Design, Synthesis, and Pharmacological Evaluation of Novel Quinolone Aryl Sulfonamide Derivatives as Potent GPR55 Antagonists

Proceedings, 2019
Docking studies of identified GPR55 ligands using a GPR55 inactive state model allow rationalizing key structural features involved in ligand–receptor binding.
Paula Morales, Laura Figuerola-Asencio, Dow H. Hurst, Pingwei Zhao, Mary E. Abood, Patricia H. Reggio, Nadine Jagerovic   +6 more
doaj   +1 more source

Characterization of Monoclonal Antibody–Protein Antigen Complexes Using Small-Angle Scattering and Molecular Modeling

Antibodies, 2017
The determination of monoclonal antibody interactions with protein antigens in solution can lead to important insights guiding physical characterization and molecular engineering of therapeutic targets.
Maria Monica Castellanos, James A. Snyder, Melody Lee, Srinivas Chakravarthy, Nicholas J. Clark, Arnold McAuley, Joseph E. Curtis   +6 more
doaj   +1 more source