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Fragment-based QSAR strategies in drug design
(Informa HealthcareLondon, 2010-05)
Recently, fragment-based drug design has been established as a crucial strategy for hit identification and lead generation, which has strongly encouraged the development of approaches to specifically recognize and evaluate ...
HCN Channels: New therapeutic targets for pain treatment
(MDPI AG, 2018)
Development and clinical application of phosphorus-containing drugs
Phosphorus-containing drugs belong to an important class of therapeutic agents and are widely applied in daily clinical
practices. Structurally, the phosphorus-containing drugs can be classified into phosphotriesters, ...
An overview of polymeric dosage forms in buccal drug delivery: State of art, design of formulations and their in vivo performance evaluation
(2018-05-01)
Owing to the ease of the administration, the oral cavity is an attractive site for the delivery of drugs. The main difficulty for administration via the buccal route is an effective physiological removal mechanism of the ...
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 ...
Advanced Modeling Reconciles Counterintuitive Decisions in Lead Optimization
(Elsevier Science London, 2017-06)
Lead optimization (LO) is essential to fulfill the efficacy and safety requirements of drug-based targeted therapy. The ease with which water may be locally removed from around the target protein crucially influences LO ...
Design of experiments (DoE) to develop and to optimize nanoparticles as drug delivery systems
(2021-08-01)
Nanotechnology has been widely applied to develop drug delivery systems to improve therapeutic performance. The effectiveness of these systems is intrinsically related to their physicochemical properties, so their biological ...
Evaluation of a lens-free imager to facilitate tuberculosis diagnostics in MODS
(Elsevier, 2015)
Tuberculosis (TB) control efforts are hampered by a mismatch in diagnostic technology. Lack of adequate early diagnostics and Multi-drug resistant (MDR) detection is a critical problem in control efforts. Alternate and ...
Artificial Itelligence Teaches Drugs to Target Proteins by Tackling the Induced Folding Problem
(American Chemical Society, 2020-06-17)
We explore the possibility of a deep learning (DL) platform that steers drug design to target proteins by inducing binding-competent conformations. We deal with the fact that target proteins are usually not fixed targets ...
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, ...