Rational Approach to New Chemical Entities with Antiproliferative Activity on Ab1 Tyrosine Kinase Encoded by the BCR-ABL Gene: An Hierarchical Biochemoinformatics Analysis

Autor: Vitor H. da S. Sanches, Cleison C. Lobato, Luciane B. Silva, Igor V. F. dos Santos, Elcimar de S. Barros, Alexandre de A. Maciel, Elenilze F. B. Ferreira, Kauê S. da Costa, José M. Espejo-Román, Joaquín M. C. Rosa, Njogu M. Kimani, Cleydson B. R. Santos

Publikováno v: Pharmaceuticals, Vol 17, Iss 11, p 1491 (2024)

Background: This study began with a search in three databases, totaling six libraries (ChemBridge-DIVERSet, ChemBridge-DIVERSet-EXP, Zinc_Drug Database, Zinc_Natural_Stock, Zinc_FDA_BindingDB, Maybridge) with approximately 2.5 million compounds with

Externí odkaz: https://doaj.org/article/5f7c8bca40554033a04fbfda67b2bcf8

Inhibition Kinetics and Theoretical Studies on Zanthoxylum chalybeum Engl. Dual Inhibitors of α-Glucosidase and α-Amylase

Autor: Njogu M. Kimani, Charles O. Ochieng, Mike Don Ogutu, Kevin Otieno Yamo, Joab Otieno Onyango, Cleydson B. R. Santos

Publikováno v: Journal of Xenobiotics. 13:102-120

Compounds from Zanthoxylum chalybeum Engl. were previously reported for inhibitory activities of amylase and glucosidase enzymatic action on starch as a preliminary study toward the establishment of a management strategy against postprandial hypergly

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f7837e5e2949922396815330cf799efa
https://doi.org/10.3390/jox13010009

Application of Bio-Based and Inorganic Composite Materials to Remove Heavy Metals from Textile Effluent

Autor: Rutto Toroitich Evans, Seth Apollo, Leonard Genson Murithi, Njogu M. Kimani

Publikováno v: Sustainable Textiles: Production, Processing, Manufacturing & Chemistry ISBN: 9789811928512

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1c7eb2f98709b7c22253bac73005ab76
https://doi.org/10.1007/978-981-19-2852-9_10

Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro

Autor: Humberto Fonseca de Freitas, Samuel S. R. Pita, Rosivaldo S. Borges, Cleydson B. R. Santos, Njogu M. Kimani, Rai C. Silva, Joaquín M. Campos, Carlos Henrique Tomich de Paula da Silva

Publikováno v: International Journal of Molecular Sciences, Vol 22, Iss 11739, p 11739 (2021)
International Journal of Molecular Sciences
Volume 22
Issue 21
Digibug. Repositorio Institucional de la Universidad de Granada
instname
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has received global attention due to the serious threat it poses to public health. Since the outbreak in December 2019, millions of people ha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f984b23df693c13f49e696d8efffe6d
https://www.mdpi.com/1422-0067/22/21/11739

Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches

Autor: João Sammy Nery de Souza, Levy Bueno Alves, José M Espejo-Román, R Silva, Carlos Henrique Tomich de Paula da Silva, Njogu M. Kimani, Cleydson B. R. Santos, Silvana Giuliatti, Josiane V Cruz, Elenilze F B Ferreira

Publikováno v: Journal of biomolecular structuredynamics. 40(12)

Cyclooxygenase 2 (COX-2) is a well-established target for the design of anti-inflammatory intermediates. Celecoxib was selected as a template molecule to perform ligand-based virtual screening, i.e. to search for structures with similarity in shape a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4cc23a3739c2876c63ccebb6ec266c4e
https://pubmed.ncbi.nlm.nih.gov/33427075