Results 11 to 20 of about 169,844 (308)

Smart Approach for the Design of Highly Selective Aptamer-Based Biosensors

open access: yesBiosensors, 2022
Aptamers are chemically synthesized single-stranded DNA or RNA oligonucleotides widely used nowadays in sensors and nanoscale devices as highly sensitive biorecognition elements. With proper design, aptamers are able to bind to a specific target molecule
Ali Douaki   +8 more
doaj   +1 more source

In silico design of telomerase inhibitors

open access: yesDrug Discovery Today, 2020
Telomerase is a reverse transcriptase enzyme involved in DNA synthesis at the end of linear chromosomes. Unlike in most other cells, telomerase is reactivated most cancerous cells and, therefore, has become a promising new anticancer target. Despite extensive research, direct telomerase inhibitors have yet not been introduced to the clinics because of ...
Maciej Baginski, Katarzyna Serbakowska
openaire   +2 more sources

In silico peptide-directed ligand design complements experimental peptide-directed binding for protein–protein interaction modulator discovery [PDF]

open access: yes, 2020
Using the protein–protein interaction of Mcl-1/Noxa, two methods for efficient modulator discovery are directly compared. In silico peptide-directed ligand design is evaluated against experimental peptide-directed binding, allowing for the discovery of ...
Beekman, Andrew Michael   +5 more
core   +1 more source

Evaluation of personalized right ventricle to pulmonary artery conduits using in silico design and computational analysis of flowCentral MessagePerspective

open access: yesJTCVS Open, 2020
Objectives: Right ventricle to pulmonary artery (RV-PA) conduits are required for the surgical management of pulmonary atresia with ventricular septal defect and truncus arteriosus.
Pegah Ebrahimi, MPhil   +6 more
doaj   +1 more source

In Silico-Based Design of a Hybrid Peptide with Antimicrobial Activity against Multidrug-Resistant Pseudomonas aeruginosa Using a Spider Toxin Peptide

open access: yesToxins, 2023
The escalating prevalence of antibiotic-resistant bacteria poses an immediate and grave threat to public health. Antimicrobial peptides (AMPs) have gained significant attention as a promising alternative to conventional antibiotics.
Min Kyoung Shin   +8 more
doaj   +1 more source

Design, in silico and pharmacological evaluation of a peptide inhibitor of BACE-1

open access: yesFrontiers in Pharmacology, 2023
Introduction: Alzheimer’s disease (AD) is the main type of dementia, caused by the accumulation of amyloid plaques, formed by amyloid peptides after being processed from amyloid precursor protein (APP) by γ- and ß-secretases (BACE-1).
Renata Boldin   +4 more
doaj   +1 more source

Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs

open access: yesSaudi Pharmaceutical Journal, 2016
Mer receptor tyrosine kinase is a promising novel cancer therapeutic target in many human cancers, because abnormal activation of Mer has been implicated in survival signaling and chemoresistance.
Fereshteh Shiri   +2 more
doaj   +1 more source

Modification of Vegetable Proteins to Release Bioactive Peptides Able to Treat Metabolic Syndrome—In Silico Assessment

open access: yesApplied Sciences, 2020
Metabolic syndrome comprises a cluster of diseases like hypertension, dyslipidemia, and insulin resistance, among others. Its treatment is based on lifestyle modification; however, this treatment often fails to improve metabolic syndrome indicators over ...
Diego Armando Maldonado-Torres   +4 more
doaj   +1 more source

Toward in silico Catalyst Optimization

open access: yes, 2022
In this minireview, we overview a computational pipeline that can be used to successfully reproduce the enantiomeric ratios of homogeneous catalytic reactions.
Nicolai, Cramer   +4 more
core   +1 more source

Exploring YidR Gene from Klebsiella pneumoniae To Design a Multi-epitope Vaccine Using Immunoinformatics Approach

open access: yesJournal of Experimental Life Science, 2022
Klebsiella pneumoniae is the main leading cause of hospital-acquired infection, leading to severe infections such as pneumonia and urinary tract infection.
Maulana Wildan Seputra   +2 more
doaj   +1 more source

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