Results 81 to 90 of about 452,634 (352)

Interactions of GFAP with ceftriaxone and phenytoin: SRCD and molecular docking and dynamic simulation

open access: yesBiochimica et Biophysica Acta (BBA) - General Subjects, 2016
GFAP is the major intermediate filament protein in mature astrocytes. Its increased expression and aggregation was firstly associated to Alexander's disease, and successively in different neurological diseases including scrapie, Alzheimer's and Creutzfeld-Jacob diseases.
Ruzza Paolo   +6 more
openaire   +6 more sources

Fabrication of a Lipopolysaccharide‐Targeting Peptide‐Based Colloid for Alleviating Carbapenem‐Resistant Enterobacteriaceae‐Induced Cutaneous Infection

open access: yesAdvanced Healthcare Materials, EarlyView.
In this study, a novel cationic peptide, IW is designed and synthesized, with a tandem‐repeat sequence demonstrating potent activities against a broad spectrum of clinically relevant Carbapenem‐resistant Enterobacteriaceae in both the planktonic and biofilm states. IW is then formulated with P407 to form IW‐P407 colloids.
Ping Zeng   +5 more
wiley   +1 more source

Integration of virtual screening and computational simulation identifies photodynamic therapeutics against human Protoporphyrinogen Oxidase IX (hPPO)

open access: yesArabian Journal of Chemistry, 2020
Photodynamic therapy (PDT) is a rapidly evolving area of cancer management against solid tumors. PDT is either administrated by injecting photosensitizer (porphyrins) or by accumulation of intracellular protoporphyrin IX via the inhibition of human ...
Amir Zeb   +10 more
doaj  

CaverDock: A Novel Method for the Fast Analysis of Ligand Transport [PDF]

open access: yes, 2018
Here we present a novel method for the analysis of transport processes in proteins and its implementation called CaverDock. Our method is based on a modified molecular docking algorithm. It iteratively places the ligand along the access tunnel in such a way that the ligand movement is contiguous and the energy is minimized.
arxiv   +1 more source

Peptides binding cocaine: A strategy to design biomimetic receptors [PDF]

open access: yes, 2013
A computational methodology for designing and rationalizing the selection of small peptides as biomimetic receptors for cocaine is proposed. The method started by searching and filtering proteins X-ray and NMR data of biological receptor-cocaine ...
Compagnone, Dario   +6 more
core   +1 more source

Covalent Organic Frameworks for Photocatalysis

open access: yesAdvanced Materials, EarlyView.
This review provides an overview of recent advances in covalent organic frameworks (COFs) for photocatalysis, focusing on sustainable energy applications like water splitting, hydrogen peroxide generation, and CO2 and N2 reduction. It discusses design principles, structure‐function relationships, challenges in COF photocatalysis, and strategies to ...
Bikash Mishra   +6 more
wiley   +1 more source

DNA‑Directed Assembly of Photonic Nanomaterials for Diagnostic and Therapeutic Applications

open access: yesAdvanced Materials, EarlyView.
DNA‐directed assembly offers a powerful strategy for constructing structured photonic nanomaterials with precise spatial control. This review provides a comprehensive overview of recent advancements in DNA‐assembled photonic nanomaterials for diagnostics and therapeutics, highlighting key design principles, functionalization strategies, and optical ...
Longjiang Ding   +5 more
wiley   +1 more source

Data on docking and dynamics simulation of Entamoeba histolytica EhADH (an ALIX protein) and lysobisphosphatidic acid

open access: yesData in Brief, 2016
Entamoeba histolytica is the protozoan agent responsible for human amoebiasis. Trophozoites are highly phagocytic cells and the lysobisphosphatidic acid (LBPA) is involved in endocytosis.
Silvia Castellanos-Castro   +2 more
doaj  

The Study of Molecular Docking and Molecular Dynamics Simulation Chemical Compound of Pycnarrhena cauliflora Diels. as Proapoptosis in Cervical Cancer

open access: yesISCC (Indonesian Journal of Cancer Chemoprevention)
Cervical cancer is one of the most common cancers among women worldwide and in Indonesia. B-cell lymphoma 2 (Bcl-2) can play a role in causing cancer by inhibiting apoptosis. The purpose of this study was to analyze the chemical compound of the sengkubak
Anggun Qurrota Aini   +3 more
doaj   +1 more source

New insights on repellent recognition by Anopheles gambiae odorant-binding protein 1 [PDF]

open access: yes, 2018
It is generally recognized that insect odorant binding proteins (OBPs) mediate the solubilisation and transport of hydrophobic odorant molecules and contribute to the sensitivity of the insect olfactory system.
Iley, Jim N.   +2 more
core   +2 more sources

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