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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 ...
Drug transfer into target helminth parasites
(Elsevier, 2007-03)
The pharmacokinetics of an anthelmintic drug includes the time course of drug absorption, distribution, metabolism and elimination from the host and determines the concentration of the active drug that reaches the location ...
Major kinds of drug targets in chagas disease or american trypanosomiasis
(Bentham Science Publishers, 2019-08-21)
American Trypanosomiasis, a parasitic infection commonly named Chagas disease, affects millions of people all over Latin American countries. Presently, the World Health Organization (WHO) predicts that the number of ...
Amino acid and polyamine membrane transporters in Trypanosoma cruzi: biological function and evaluation as drug targets
(Bentham Science Publishers, 2019-12)
Amino acids and polyamines are involved in relevant processes for the parasite Trypanosoma cruzi, like protein synthesis, stress resistance, life cycle progression, infection establishment and redox balance, among others. ...
Target-Pathogen: A structural bioinformatic approach to prioritize drug targets in pathogens
(Oxford University Press, 2018-01)
Available genomic data for pathogens has created new opportunities for drug discovery and development to fight them, including new resistant and multiresistant strains. In particular structural data must be integrated with ...
The Thiol-polyamine Metabolism of Trypanosoma cruzi: Molecular Targets and Drug Repurposing Strategies
(Bentham Science Publishers, 2018-09)
Chagas´ disease continues to be a challenging and neglected public health problem in many American countries. The etiologic agent, Trypanosoma cruzi, develops intracellularly in the mammalian host, which hinders treatment ...
Drug delivery systems in HIV pharmacotherapy: What has been done and the challenges standing ahead
(Elsevier Science, 2009-08)
Worldwide, over 40 million people are infected with the Human Immunodeficiency Virus (HIV). The High Activity Antiretroviral Therapy (HAART) combines at least three antiretroviral (ARV) drugs and, for over a decade, has ...
Prioritisation of potential drug targets against bartonella bacilliformis by an integrative in-silico approach
(Fundação Oswaldo Cruz, 2020-06)
BACKGROUND Carrion’s disease (CD) is a neglected biphasic illness caused by Bartonella bacilliformis, a Gram-negative bacteria found in the Andean valleys. The spread of resistant strains underlines the need for novel ...
TDR Targets 6: driving drug discovery for human pathogens through intensive chemogenomic data integration
(Oxford University Press, 2019-11)
The volume of biological, chemical and functional data deposited in the public domain is growing rapidly, thanks to next generation sequencing and highly-automated screening technologies. These datasets represent invaluable ...
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 ...