Buscar
Mostrando ítems 1-10 de 201
Computer-aided drug design against spike glycoprotein of SARS-CoV-2 to aid COVID-19 treatment
Background: SARS-CoV-2 has the Spike glycoprotein (S) which is crucial in attachment with host receptor and cell
entry leading to COVID-19 infection. The current study was conducted to explore drugs against Receptor ...
Computer-Aided Drug Design: An Overview
(Humana Press, 2018)
The term drug design describes the search of novel compounds with biological activity, on a systematic basis. In its most common form, it involves modification of a known active scaffold or linking known active scaffolds, ...
Key Topics in Molecular Docking for Drug Design
(MDPI, 2023)
Structure- and ligand-based drug design approaches for neglected tropical diseases
(INT UNION PURE APPLIED CHEMISTRYRES TRIANGLE PK, 2012)
Drug discovery has moved toward more rational strategies based on our increasing understanding of the fundamental principles of protein-ligand interactions. Structure( SBDD) and ligand-based drug design (LBDD) approaches ...
Applications of multi-target computer-aided methodologies in molecular design of CNS drugs
(Bentham Science Publishers B.V., 2018)
Development and Validation of a Computational Model Ensemble for the Early Detection of BCRP/ABCG2 Substrates during the Drug Design Stage
(American Chemical Society, 2017-08)
Breast Cancer Resistance Protein (BCRP) is an ATP-dependent efflux transporter linked to the multidrug resistance phenomenon in many diseases such as epilepsy and cancer and a potential source of drug interactions. For ...
Drug Target Interaction Prediction Using Machine Learning Techniques – A Review
Drug discovery is a key process, given the rising and ubiquitous demand for medication to stay in good shape right through the course of one’s life. Drugs are small molecules that inhibit or activate the function of a ...
Modern Approaches for the Discovery of Anti-Infectious Drugs for the Treatment of Neglected Diseases
(Bentham Science Publishers, 2018-07)
Neglected diseases comprise a number of infectious diseases historically endemic to low-and middle-income countries, though recently they have spread to high-income countries due to human migrations. In the past, pharmaceutical ...
Using Computer-aided Drug Design and Medicinal Chemistry Strategies in the Fight Against Diabetes
(ADENINE PRESS, 2011)
The aim of this work is to present a simple, practical and efficient protocol for drug design, in particular Diabetes, which includes selection of the illness, good choice of a target as well as a bioactive ligand and then ...
A comparative evaluation of open loop and closed loop drug administration strategies in the treatment of AIDS.
(1999-12-01)
In recent years, many researchers in the field of biomedical sciences have made successful use of mathematical models to study, in a quantitative way, a multitude of phenomena such as those found in disease dynamics, control ...