Results 51 to 60 of about 398,762 (332)

Docking Challenge: Protein Sampling and Molecular Docking Performance [PDF]

Journal of Chemical Information and Modeling, 2013
Computational tools are essential in the drug design process, especially in order to take advantage of the increasing numbers of solved X-ray and NMR protein-ligand structures. Nowadays, molecular docking methods are routinely used for prediction of protein-ligand interactions and to aid in selecting potent molecules as a part of virtual screening of ...
Khaled M. Elokely, Robert J. Doerksen
openaire   +2 more sources

In silico Analysis, Molecular Docking, Molecular Dynamic, Cloning, Expression and Purification of Chimeric Protein in Colorectal Cancer Treatment [Erratum]

Drug Design, Development and Therapy, 2020
Dana H, Mahmoodi Chalbatani G, Gharagouzloo E, et al.Drug Des Devel Ther. 2020;14:309–329.On page 309, Correspondence, the name of author was not updated by the Editorial staff when the author’s name was corrected in the author list during ...
Dana H, Mahmoodi Chalbatani G, Gharagouzloo E, Miri SR, Memari F, Rasoolzadeh R, Zinatizadeh MR, Kheirandish Zarandi P, Marmari V   +8 more
doaj  

Docking and Dynamics Study of Phytochemicals as Potent Inhibitors against SARS-CoV-2 Main Protease

Journal of Molecular Docking, 2022
Coronavirus Infectious Disease-19 (COVID-19) caused by coronavirus 2 is a global health hazard. The lack of medications against the disease is a major concern of the research community today. Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease (
Palla Ramprasad, Arunkumar Babu, Suveena Sukumaran   +2 more
doaj   +1 more source

Searching for New Leads to Treat Epilepsy: Target-Based Virtual Screening for the Discovery of Anticonvulsant Agents [PDF]

, 2018
The purpose of this investigation is to contribute to the development of new anticonvulsant drugs to treat patients with refractory epilepsy. We applied a virtual screening protocol that involved the search into molecular databases of new compounds and ...
Bruno Blanch, Luis Enrique, Enrique, Nicolás Jorge, Gavernet, Luciana, Goicoechea, Sofia, Martín, Pedro, Milesi, Verónica, Palestro, Pablo Hernán, Sabatier, Laureano Leonel, Villalba, Maria Luisa   +8 more
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On the Integration of Pharmacophore Model and Molecular Docking Method

Journal of Algorithms & Computational Technology, 2011
Structure-based molecular docking has been recognized as the most effective virtual screening technology. Two aspects decide the accuracy of virtual screening result: one is the simulation degree to the interaction of ligands and acceptors, the other is ...
G. Dong, X.J. Deng, J.H. Xiao
doaj   +1 more source

In Silico Study for Similar FDA Approved Drugs as Inhibitors of SARS-CoV-2 Spike and the Host Receptor Proteins

Journal of Molecular Docking, 2021
The severe acute respiratory syndrome coronavirus 2, known as COVID-19, has been hideously increased worldwide. The disease began in Wuhan, China, around December 2019, then spread to most countries.
Israa Mohamed Shamkh, Dina Pratiwi, Hanaa S. Omar, Nour El-Houda A. Reyad   +3 more
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In silico Analysis, Molecular Docking, Molecular Dynamic, Cloning, Expression and Purification of Chimeric Protein in Colorectal Cancer Treatment

Drug Design, Development and Therapy, 2020
Hassan Dana, 1, 2,* Ghanbar Mahmoodi Chalbatani, 1,* Elahe Gharagouzloo, 1 Seyed Rouhollah Miri, 1 Fereidoon Memari, 1 Reza Rasoolzadeh, 3 Mohammad Reza Zinatizadeh, 3 Peyman Kheirandish Zarandi, 3 Vahid Marmari 2 1Cancer Research Center, Cancer ...
Dana H, Mahmoodi Chalbatani G, Gharagouzloo E, Miri SR, Memari F, Rasoolzadeh R, Zinatizadeh MR, Kheirandish Zarandi P, Marmari V   +8 more
doaj  

New Approach to create an Effective Natural Treatments of Infections caused by Human Papillomavirus

Journal of Molecular Docking, 2021
Human Papillomavirus (HPV) has a double-stranded DNA (dsDNA) genome. Infections, mainly sexually transmitted, usually resolve spontaneously. However, if the infection persists over time, lesions of the skin and mucous membranes tend to appear, notably ...
Momir Dunjic, Stefano Giuseppe Turini, Slavisa Stanisic, Nenad Sulovic, Sasa Cvetkovic, Dejan Mihajlovic, Marija Dunjic, Dusan Simic, Katarina Dunjic   +8 more
doaj   +1 more source

Identification of G-quadruplex DNA/RNA binders: Structure-based virtual screening and biophysical characterization [PDF]

, 2017
Background Recent findings demonstrated that, in mammalian cells, telomere DNA (Tel) is transcribed into telomeric repeat-containing RNA (TERRA), which is involved in fundamental biological processes, thus representing a promising anticancer target. For
Alcaro, Stefano, Artese, Anna, Costa, Giosu\ue8, Distinto, Simona, Maccioni, Elias, Moraca, Federica, Nadai, Matteo, Ortuso, Francesco, Richter, Sara, Rocca, Roberta, Scalabrin, Matteo, Talarico, Carmine   +11 more
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Molecular Docking for Predictive Toxicology

, 2018
Molecular docking is an in silico method widely applied in drug discovery programs to predict the binding mode of a given molecule interacting with a specific biological target. This computational technique is today emerging also in the field of predictive toxicology for regulatory purposes, being for instance successfully applied to develop ...
Trisciuzzi, Daniela, Alberga, Domenico, Leonetti, Francesco, Novellino, Ettore, Nicolotti, Orazio, Mangiatordi, Giuseppe F.   +5 more
openaire   +3 more sources