Results 71 to 80 of about 452,634 (352)
Indonesian Journal of Chemistry, 2020 Malaria is a disease that commonly infects humans in many tropical areas. This disease becomes a serious problem because of the high resistance of Plasmodium parasite against the well-established antimalarial agents, such as Artemisinin.
Isman Kurniawan +2 more
doaj +1 more source
Phenolic-protein interactions: insight from in-silico analyses – a review
Food Production, Processing and Nutrition, 2023 Phenolic compounds are ubiquitous plant secondary metabolites that possess various biological activities and are known to interact with proteins, altering their structure and properties.
Fereidoon Shahidi +1 more
doaj +1 more source
Study on the Characteristics of Small-Molecule Kinase Inhibitors-Related Drug-Induced Liver Injury
Frontiers in Pharmacology, 2022 Background and Aim: More than half of the small-molecule kinase inhibitors (KIs) induced liver injury clinically. Meanwhile, studies have shown a close relationship between mitochondrial damage and drug-induced liver injury (DILI).
Huiqun Dong +12 more
doaj +1 more source
Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain [PDF]
, 2011 Background: The Elk-1 transcription factor is a member of a group of proteins called ternary complex factors, which serve as a paradigm for gene regulation in response to extracellular signals. Its deregulation has been linked to multiple human diseases
Hirst, J.D., Hussain, A., Shaw, P.E.
core +3 more sources
Advanced Functional Materials, EarlyView.PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu +14 more
wiley +1 more source
Molecular docking and simulation of Zika virus NS3 helicase
BMC Chemistry, 2019 The Zika virus (ZIKV) has gained attention for the last few years due to the congenital microcephaly and Guillain–Barre Syndrome that resulted in humans. The non-structural protein-3 (NS3) helicase of ZIKV play an important role in viral RNA replication.
Syed Lal Badshah +7 more
doaj +1 more source
Advanced Functional Materials, EarlyView.This work reports the self‐assembly of a pyrene derivative into two distinct nanostructures and their application in visible‐light photocatalysis. The two nanostructures exhibit completely different yet complementary photocatalytic activities, promoting either H2 or H2O2 evolution.
Marianna Barbieri +6 more
wiley +1 more source
Biology, 2023 CRL is a highly versatile enzyme that finds extensive utility in numerous industries, which is attributed to its selectivity and catalytic efficiency, which have been impeded by the impracticality of its implementation, leading to a loss of native ...
Prasanna J. Patil +5 more
doaj +1 more source
Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods [PDF]
arXiv, 2023 Molecular docking is a structure-based computational drug design technique for predicting the interaction between a small molecule (ligand) and a macromolecule (receptor). Over the past three decades various docking software programs have been developed, mostly for drug-like molecules.
arxiv
Modeling of protein-peptide interactions using the CABS-dock web server for binding site search and flexible docking [PDF]
Methods, 93:72-83, 2016, 2015 Protein-peptide interactions play essential functional roles in living organisms and their structural characterization is a hot subject of current experimental and theoretical research. Computational modeling of the structure of protein-peptide interactions is usually divided into two stages: prediction of the binding site at a protein receptor surface,
arxiv +1 more source