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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 ...
Computational and synthetic target-based approaches to the discovery of novel anticonvulsant compounds
(Bentham Science Publishers, 2021-05)
Background: During the past decades, an important number of anticonvulsant drugs have been incorporated into the collection of drugs to treat epilepsy. However, two main difficulties remain unsolved in therapy: the development ...
EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening
(Oxford University Press, 2020)
Protein-drug interaction studies for development of drugs against Plasmodium falciparum.
(Bentham Science Publishers Ltd, 2014)
Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screening
(Elsevier France-editions Scientifiques Medicales Elsevier, 2018-04-10)
Nowadays, the pharmacological therapy for the treatment of Chagas disease is based on two old drugs, benznidazole and nifurtimox, which have restricted efficacy against the chronic phase of the illness. To overcome the ...
A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors
(Taylor & Francis Ltd, 2019-09)
Trypanosoma cruzi carbonic anhydrase (TcCA) has recently emerged as an interesting target for the design of new compounds to treat Chagas disease. In this study we report the results of a structure-based virtual screening ...
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, ...