Results 81 to 90 of about 36,144 (247)

Hydroxamic Acids as HDAC Inhibitor Drug Leads for Malaria

Medicinal Research Reviews, EarlyView.
ABSTRACT Malaria is a global health threat, with an estimated 282 million cases and 610,000 malaria‐associated deaths reported in 2024. Most mortality is due to infection by Plasmodium falciparum parasites, with the highest burden occurring in Sub‐Saharan Africa.
Wisam A. Dawood, Jacinta R. Macdonald, Christian Anzenhofer, Tina S. Skinner‐Adams, Robert C. Reid, Thomas Kurz, David P. Fairlie, Katherine T. Andrews   +7 more
wiley   +1 more source

Ampliação e aplicação do método semi-empírico topológico (IET) em modelos QSRR/QSPR/QSAR para compostos alifáticos halogenados e cicloalcanos [PDF]

, 2008
Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Programa de Pós-Graduação em Química.Este estudo foi desenvolvido para avaliar a capacidade de prognóstico do índice semi-empírico topológico (IET) em ...
Arruda, Anna Celia
core  

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for abiotic degradation in air. Q13-22a-0034. Molcode Ltd., 2010.

, 2020
This QSAR model corresponds to the QMRF Q13-22a-0034 "QSAR for abiotic degradation in air" from the JRC QSAR Model ...

core   +1 more source

Multi-Target Chemometric Modelling, Fragment Analysis and Virtual Screening with ERK Inhibitors as Potential Anticancer Agents

Molecules, 2019
Two isoforms of extracellular regulated kinase (ERK), namely ERK-1 and ERK-2, are associated with several cellular processes, the aberration of which leads to cancer.
Amit Kumar Halder, Amal Kanta Giri, Maria Natália Dias Soeiro Cordeiro   +2 more
doaj   +1 more source

Advancing Therapies for Mycobacterial Diseases: From Small Molecules to Host‐Directed Strategies

Medicinal Research Reviews, EarlyView.
ABSTRACT The global burden of multidrug‐resistant tuberculosis (MDR‐TB) and the rising incidence of nontuberculous mycobacterial (NTM) infections highlight the urgent need for innovative therapeutic strategies. Current treatments are prolonged, toxic, and increasingly compromised by resistance and limited diagnostic capacity.
Tânia Silva, Alessandra Aiello, Tonino Alonzi, M. Alice Carvalho, Vladimir Finger, Delia Goletti, Sven Hoffner, Yousra Kherabi, Jan Korabecny, Julia Kulczyńska, Agnieszka Kyzioł, Alicia Lacoma, Filomena Martins, Zorica Nanovic, Sepideh Hosseiniporgham, Martina Hrast Rambaher, Leonardo Antonio Sechi, Daria Smalchuk, Grażyna Stochel, Lydia Tabernero, Nancy L. Tateosian, Violeta Valcheva, Anamarija Zega, Mafalda Sarraguça   +23 more
wiley   +1 more source

Lomefloxacin—Occurrence in the German River Erft, Its Photo-Induced Elimination, and Assessment of Ecotoxicity

Clean Technologies, 2020
Pharmaceuticals in waters represent a worldwide problem of today. Advanced oxidation processes (AOPs) are being researched for elimination of the ecological hazard.
Melanie Voigt, Benjamin Hentschel, Nina Theiss, Christina Savelsberg, Indra Bartels, Anna Nickisch-Hartfiel, Martin Jaeger   +6 more
doaj   +1 more source

QSAR without borders

Chemical Society Reviews, 2020
Word cloud summary of diverse topics associated with QSAR modeling that are discussed in this review.
Eugene N. Muratov, Jürgen Bajorath, Robert P. Sheridan, Igor V. Tetko, Dmitry Filimonov, Vladimir Poroikov, Tudor I. Oprea, Igor I. Baskin, Alexandre Varnek, Adrian Roitberg, Olexandr Isayev, Stefano Curtalolo, Denis Fourches, Yoram Cohen, Alan Aspuru-Guzik, David A. Winkler, Dimitris Agrafiotis, Artem Cherkasov, Alexander Tropsha   +18 more
openaire   +7 more sources

Artificial Intelligence‐Driven Natural Product Drug Discovery: From Computational Genome Mining to Clinical Translation

Medicinal Research Reviews, EarlyView.
ABSTRACT Natural products (NPs) have historically yielded numerous therapeutic agents, yet their integration into modern drug discovery has been constrained by chemical complexity, low abundance, laborious dereplication, and limited target annotation.
Antonio Lavecchia
wiley   +1 more source

QSAR analysis of some azole derivatives as potent aromatase inhibitors [PDF]

Trends in Pharmaceutical Sciences, 2018
A high proportion of breast tumors are hormone-dependent, implying that endogenous estrogens play a critical role in cancer cell proliferation. One of the most effective strategies for the treatment of breast cancer is reduction of estrogens level by ...
Razeih Sabet, Soghra Khabnadideh, Samaneh Mohseni, Ayyub Mojaddami, Zahra Rezaei   +4 more
doaj  

Taste‐Active Peptides: Sensation Mechanisms and Structure–Taste Relationships

Sensory Neuroscience, EarlyView.
Overview of taste‐active peptides, including taste bud cellular organization, peptide–receptor interactions and signaling pathways, structure–taste relationships, and integrated computational and experimental strategies for peptide discovery, mechanism elucidation, and flavor modulation.
Dengyi Pei, Jucai Xu, Weizu Yu, Quanyou Guo, Wenmeng He   +4 more
wiley   +1 more source