Results 1 to 10 of about 336,807 (309)

Syzygium aromaticum Extracts as a Potential Antibacterial Inhibitors against Clinical Isolates of Acinetobacter baumannii: An In-Silico-Supported In-Vitro Study

Antibiotics, 2021
Imipenem is the most efficient antibiotic against Acinetobacter baumannii infection, but new research has shown that the organism has also developed resistance to this agent. A.
Abdelhamed Mahmoud, Magdy M. Afifi, Fareed El Shenawy, Wesam Salem, Basem H. Elesawy   +4 more
doaj   +1 more source

Synthesis, Enantiomeric Resolution and Biological Evaluation of HIV Capsid Inhibition Activity for Racemic, (S)- and (R)-PF74

Molecules, 2021
PF74 is a capsid-targeting inhibitor of HIV replication that effectively perturbs the highly sensitive viral uncoating process. A lack of information regarding the optical purity (enantiomeric excess) of the single stereogenic centre of PF74 has resulted
Stuart Ruddell, Elena Sugrue, Sarah Memarzadeh, Lorna Mae Hellam, Sam J. Wilson, David J. France   +5 more
doaj   +1 more source

DOCTORS IN THE DOCK. [PDF]

The Lancet, 1906
n ...
openaire   +2 more sources

In Silico Approach for Identification of PI3K/mTOR Dual Inhibitors for Multiple Myeloma Treatment

European Journal of Biology, 2023
Objective: Multiple myeloma is a hematologic malignancy in which targeting phosphoinositide 3 kinase (PI3K) and/or the mammalian target of rapamycin (mTOR) individually has been shown to have anti-proliferative effects, however, inhibiting both proteins ...
İlke Maşalacı, Yaren Akdoğan, Özge Mutlu, Hande Eyvaz, Yağmur Kiraz   +4 more
doaj   +1 more source

Exploring the SARS-CoV-2 Proteome in the Search of Potential Inhibitors via Structure-Based Pharmacophore Modeling/Docking Approach

Computation, 2020
To date, SARS-CoV-2 infectious disease, named COVID-19 by the World Health Organization (WHO) in February 2020, has caused millions of infections and hundreds of thousands of deaths.
Giulia Culletta, Maria Rita Gulotta, Ugo Perricone, Maria Zappalà, Anna Maria Almerico, Marco Tutone   +5 more
doaj   +1 more source

Exploration of Chemical Diversity and Antitrypanosomal Activity of Some Red Sea-Derived Actinomycetes Using the OSMAC Approach Supported by LC-MS-Based Metabolomics and Molecular Modelling

Antibiotics, 2020
In the present study, we investigated the actinomycetes associated with the Red Sea-derived soft coral Sarcophyton glaucum in terms of biological and chemical diversity. Three strains were cultivated and identified to be members of genera Micromonospora,
Noha M. Gamaleldin, Walid Bakeer, Ahmed M. Sayed, Yara I. Shamikh, Ahmed O. El-Gendy, Hossam M. Hassan, Hannes Horn, Usama Ramadan Abdelmohsen, Wael N. Hozzein   +8 more
doaj   +1 more source

Design, synthesis, anti-inflammatory evaluation, and molecular modelling of new coumarin-based analogs combined curcumin and other heterocycles as potential TNF-α production inhibitors via upregulating Nrf2/HO-1, downregulating AKT/mTOR signalling pathways and downregulating NF-κB in LPS induced macrophages

Journal of Enzyme Inhibition and Medicinal Chemistry, 2023
Persistent inflammation contributes to various inflammatory conditions. Inflammation-related diseases may be treated by inhibiting pro-inflammatory mediators and cytokines.
Lina M. A. Abdel Ghany, Botros Y. Beshay, Amal M. Youssef Moustafa, Ali Hassan Ahmed Maghrabi, Eman Hussain Khalifa Ali, Rasha Mohammed Saleem, Islam Zaki, Noha Ryad   +7 more
doaj   +1 more source

Stereo Camera-based Free Space Estimation for Docking in Urban Waters [PDF]

Modeling, Identification and Control
Operating in urban waters with an autonomous vessel can be challenging. The autonomous vessel must be able to react quickly and detect obstacles to avoid collisions and risky maneuvers.
Trym A. Nygård, Nicholas Dalhaug, Rudolf Mester, Edmund Brekke, Annette Stahl   +4 more
doaj   +1 more source

Docking and QSAR of Aminothioureas at the SARS-CoV-2 S-Protein–Human ACE2 Receptor Interface

Molecules, 2020
Docking of over 160 aminothiourea derivatives at the SARS-CoV-2 S-protein–human ACE2 receptor interface, whose structure became available recently, has been evaluated for its complex stabilizing potency and subsequently subjected to quantitative ...
Wojciech Płonka, Agata Paneth, Piotr Paneth   +2 more
doaj   +1 more source

Molecular Modeling of µ Opioid Receptor Ligands with Various Functional Properties: PZM21, SR-17018, Morphine, and Fentanyl—Simulated Interaction Patterns Confronted with Experimental Data

Molecules, 2020
Molecular modeling approaches are an indispensable part of the drug design process. They not only support the process of searching for new ligands of a given receptor, but they also play an important role in explaining particular activity pathways of a ...
Sabina Podlewska, Ryszard Bugno, Lucja Kudla, Andrzej J. Bojarski, Ryszard Przewlocki   +4 more
doaj   +1 more source