JBCS

Modified flavonoids were synthesized and showed potent antiproliferative and antiparasitic activity in vitro and in vivo, and antiviral activity in vitro.

This account describes the LASSBio Chemical Library diversity and a virtual screening against feline McDonough sarcoma-like tyrosine kinase 3 (FLT3).

Mini review highlighting amidine derivatives: principal synthesis methods and anti-Leishmania activity results.

Nitroaromatic as drug: Food and Drug Administration (FDA) approval, mechanisms of bioactivation, metabolism and toxicity, and synthesis of nitroaromatic fragment by nitration and amine oxidation.

A bibliometric analysis was performed to map the research performed in Brazil on multicomponent reactions over a period of 30 years through a literature search.

Piperine is a natural amide with an interesting chemical structure and promising activities against several parasitic diseases. It is a renewable natural product easily extracted from black pepper, one of the most important spices used worldwide.

Enhancing the equilibrium between promiscuous and privileged structures in Medicinal Chemistry.

This article reviews the synthesis and biological activities of the amino-quinazoline privileged structure over the last 30 years, focusing on the last decade.

A bibliographical review of molecular dynamics enhanced sampling techniques for analysis of Plasmodium falciparum proteins and their implications for antibody binding.

The image shows the evolution in the usage of Computer-Assisted Drug Design (CADD) methods during the last 30 years.

Metallocenes, "half sandwich" M-arenes and metal carbonyls are potential drugs against malaria and neglected diseases caused by trypanosomatid parasites and parasitic helminths.

This work reviews protein kinase inhibitors of the last 30 years and highlights contributions from Brazilian researchers.

The advancements in both chemistry and the biological behavior, with a focus on boron neutron capture therapy involving specific polyhedral boron clusters, are examined.

Workflow diagram of a structure-based virtual screening (SBVS) process showing the two approaches discussed in this work.

This review presents the main developments in inhibitors of cruzipain/cruzain, a crucial enzyme in the life cycle of Trypanosoma cruzi, the etiological agent of Chagas disease, from the 1990s to the present.

Evolution of molecular simulations applications in drug-discovery in the past 30 years.

Chromatographic techniques and alternative strategies for qualitative and quantitative analysis of cannabinoids in medicinal cannabis products and cannabis extracts.

Cannabidiol (CBD) and its synthetic derivatives and analogues have been investigated for decades due to their medicinal uses as neuroprotective, anti-convulsive, antinociceptive, and anti-inflammatory, aimed at clarifying the mechanisms of action underlying their pharmacology and contribute to the development of innovative drugs.

Relationship between drug repositioning, artificial intelligence with essential participation of human beings, generating molecules which could turn into medicines.

How much PROTACs (protheolysis targeting chimeras) can change the drug discovery? Since its discovery in 2001, a huge evolution has been done in terms of mechanisms, proof of concepts and design. A new PROTAC drug can be one step from the market, with ARV-471 that just entered in phase III clinical trials.

Localized protein frustration is higher around druggable hotspots, partially explaining their origin and suggesting innovative hit-to-lead strategies.

The 1,4-naphthoquinones interact moderately into a positive electrostatic pocket of human serum albumin (site I) via ground-state association.

[Ru₃O(CH₃COO)₅(py)₂(dppzCl)]PF₆ (py = pyridine; dppz-Cl = 7-chlorodipyrido[3,2-a:2',3'-c]phenazine) is metabolized by human cytochrome P450 enzymes when incubated with human liver microsomes.