Results 61 to 70 of about 2,926,121 (366)

Discovery of potential SARS-CoV 3CL protease inhibitors from approved antiviral drugs using: virtual screening, molecular docking, pharmacophore mapping evaluation and dynamics simulation

Journal of Biomolecular Structure and Dynamics, 2021
The spread of corona-virus disease 2019 (COVID-19) has been faster than any other corona-viruses that have succeeded in crossing the animal-human barrier. This disease, caused by the severe acute respiratory syndrome corona-virus 2 (SARS-CoV-2/2019-nCoV)
I. Daoud, F. Mesli, N. Melkemi, S. Ghalem, Toufik Salah   +4 more
semanticscholar   +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
core   +2 more sources

Exploring the Interactions Between Caffeic Acid and Human Serum Albumin Using Spectroscopic and Molecular Docking Techniques

, 2021
* Corresponding Author: E-mail: r.amarowicz@pan.olsztyn.pl (R. Amarowicz) larly abundant source of this compound [El-Seedi et al., 2012; Pirjo et al., 2006; Tomašević et al., 2019]. In fruits, it may constitute up to 70% of the total HCAs content [Sova &
Ali Jahanban-Esfahlan, L. Roufegarinejad, Mahnaz Tabibiazar, J. Lorenzo, R. Amarowicz   +4 more
semanticscholar   +1 more source

Chaga Medicinal Mushroom Inonotus obliquus (Agaricomycetes) Terpenoids May Interfere with SARS-CoV-2 Spike Protein Recognition of the Host Cell: A Molecular Docking Study.

International Journal of Medicinal Mushrooms, 2021
The most challenging threat facing the global community today is the coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).
W. T. Basal, Abdo A. Elfiky, J. Eid
semanticscholar   +1 more source

Study on the Mechanism of Baimai Ointment in the Treatment of Osteoarthritis Based on Network Pharmacology and Molecular Docking with Experimental Verification

Frontiers in Genetics, 2021
Purpose: The external preparation of the Tibetan medicine formula, Baimai ointment (BMO), has great therapeutic effects on osteoarthritis (OA). However, its molecular mechanism remains almost elusive.
Yi-Lin Zhu, W. Zhong, J. Peng, Huichao Wu, S. Du   +4 more
semanticscholar   +1 more source

Evaluation of the analgesic effect of 4-anilidopiperidine scaffold containing ureas and carbamates [PDF]

, 2016
Fentanyl is a powerful opiate analgesic typically used for the treatment of severe and chronic pain, but its prescription is strongly limited by the well-documented side-effects.
Benyhe, Sa ́ndor, CARRADORI, Simone, Csaba To ̈mbo ̈ly, Erdei, Anna I., Ferenc O. ̈tvos, Ferenc Za ́dor, Fidanza, Lorenzo, Marzoli, Francesca, Mirzaie, Sako, MOLLICA, Adriano, MONTI, LUDOVICA, Moriello, Aniello Schiano, Novellino, Ettore, Petrocellis, Luciano De, PIERETTI, stefano, Samavati, Reza, STEFANUCCI, AZZURRA, Szabolcs Dvora ́csko, Szucs, Edina   +18 more
core   +1 more source

Use of quercetin in animal feed : effects on the P-gp expression and pharmacokinetics of orally administrated enrofloxacin in chicken [PDF]

, 2018
Modulation of P-glycoprotein (P-gp, encoded by Mdr1) by xenobiotics plays central role in pharmacokinetics of various drugs. Quercetin has a potential to modulate P-gp in rodents, however, its effects on P-gp modulation in chicken are still unclear ...
A Pedretti, AM Haritova, C Issa, CH Nightingale, D Carvalho, D Osguthorpe, D Sadowski, E Abu-Basha, E Chieli, H Elsheikh, J Dupuy, J Formica, J Sugatani, J Yang, JS Choi, JS Choi, K Lohner, K Yamaoka, KJ Livak, L Gibellini, L Li, LR Fortunato, M Goliomytis, M Guo, M Guo, M Nair, MD Hanwell, MM Pulido, MP Nair, MR Durk, O Trott, P Zakeri-Milani, P Zakeri-Milani, PV Balimane, R Walker, S Borska, S Kim, S Wang, SL Hsiu, T Guo, T Guo, TT Cushnie, V Madgula, W Li, X Liu, Y Hee Choi, YJ Chae, YQ Shan, Z Chen   +48 more
core   +2 more sources

Interactions of Sea Anemone Toxins with Insect Sodium Channel—Insights from Electrophysiology and Molecular Docking Studies

Molecules, 2021
Animal venoms are considered as a promising source of new drugs. Sea anemones release polypeptides that affect electrical activity of neurons of their prey.
Beata Niklas, M. Jankowska, D. Gordon, L. Béress, M. Stankiewicz, W. Nowak   +5 more
semanticscholar   +1 more source

A perception-action strategy for hummingbirds [PDF]

, 2010
Many human and animal tasks are thought to be controlled with the tau informational variable. It is widely accepted that controlling the rate of change of tau during decelerative tasks, such as when braking or landing, is one common perceptual control ...
Delafield-Butt, Jonathan, Galler, Andreas, Lee, David, Schögler, Benjaman   +3 more
core   +2 more sources

Deep Learning Model of Dock by Dock Process Significantly Accelerate the Process of Docking-based Virtual Screening [PDF]

arXiv, 2021
Docking-based virtual screening (VS process) selects ligands with potential pharmacological activities from millions of molecules using computational docking methods, which greatly could reduce the number of compounds for experimental screening, shorten the research period and save the research cost.
arxiv