Virtual screening algorithms in drug discovery: A review focused on machine and deep learning methods
Drug discovery and repositioning are important processes for the pharmaceutical industry.
These processes demand a high investment in resources and are time-consuming. Several …
These processes demand a high investment in resources and are time-consuming. Several …
Navigating drug repurposing for Chagas disease: advances, challenges, and opportunities
Chagas disease is a vector-borne illness caused by the protozoan parasite Trypanosoma
cruzi (T. cruzi). It poses a significant public health burden, particularly in the poorest regions …
cruzi (T. cruzi). It poses a significant public health burden, particularly in the poorest regions …
[HTML][HTML] Examination of multiple Trypanosoma cruzi targets in a new drug discovery approach for Chagas disease
I Beltran-Hortelano, V Alcolea, M Font… - Bioorganic & medicinal …, 2022 - Elsevier
Chagas disease (CD) is a centenarian neglected parasitosis caused by the protozoan
Trypanosoma cruzi (T. cruzi). Despite the continuous efforts of many organizations and …
Trypanosoma cruzi (T. cruzi). Despite the continuous efforts of many organizations and …
Advances in docking
VB Sulimov, DC Kutov… - Current medicinal …, 2019 - ingentaconnect.com
Background: Design of small molecules which are able to bind to the protein responsible for
a disease is the key step of the entire process of the new medicine discovery. Atomistic …
a disease is the key step of the entire process of the new medicine discovery. Atomistic …
Current advances in drug discovery for Chagas disease
CB Scarim, DH Jornada, RC Chelucci… - European journal of …, 2018 - Elsevier
Chagas disease, also known as American trypanosomiasis, is one of the 17 neglected
tropical diseases (NTDs) according to World Health Organization. It is estimated that 8–10 …
tropical diseases (NTDs) according to World Health Organization. It is estimated that 8–10 …
The repositioned drugs disulfiram/diethyldithiocarbamate combined to benznidazole: Searching for Chagas disease selective therapy, preventing toxicity and drug …
J Almeida-Silva, DS Menezes… - Frontiers in Cellular …, 2022 - frontiersin.org
Chagas disease (CD) affects at least 6 million people in 21 South American countries
besides several thousand in other nations all over the world. It is estimated that at least …
besides several thousand in other nations all over the world. It is estimated that at least …
Toward an understanding of pan-assay interference compounds and promiscuity: a structural perspective on binding modes
SN Bolz, MF Adasme, M Schroeder - Journal of Chemical …, 2021 - ACS Publications
Pan-assay interference compounds (PAINS) are promiscuous compound classes that
produce false positive hits in high-throughput screenings. Yet, the mechanisms of PAINS …
produce false positive hits in high-throughput screenings. Yet, the mechanisms of PAINS …
Treasuring the computational approach in medicinal plant research
H Singh, N Bharadvaja - Progress in Biophysics and Molecular Biology, 2021 - Elsevier
Medicinal plants serve as a valuable source of secondary metabolites since time
immemorial. Computational Research in 21st century is giving more attention to medicinal …
immemorial. Computational Research in 21st century is giving more attention to medicinal …
Repositioning of omarigliptin as a once-weekly intranasal anti-parkinsonian agent
BM Ayoub, S Mowaka, MM Safar, N Ashoush… - Scientific reports, 2018 - nature.com
Drug repositioning is a revolution breakthrough of drug discovery that presents outstanding
privilege with already safer agents by scanning the existing candidates as therapeutic …
privilege with already safer agents by scanning the existing candidates as therapeutic …
Recent advances in the development of triose phosphate isomerase inhibitors as antiprotozoal agents
LK Vázquez-Jiménez, A Moreno-Herrera… - Current Medicinal …, 2022 - ingentaconnect.com
Background: Parasitic diseases caused by protozoa, such as Chagas disease,
leishmaniasis, malaria, African trypanosomiasis, amoebiasis, trichomoniasis, and giardiasis …
leishmaniasis, malaria, African trypanosomiasis, amoebiasis, trichomoniasis, and giardiasis …