Proceedings, Volume 22, Issue 1

Target-guided synthesis has emerged as an elegant and efficient lead- and drug-discovery strategy. [...]

Fbw7 is an important E3 ligase and one of the most commonly deregulated proteins in human cancers. [...]

Bivalent degrader molecules (also termed PROTACs) target proteins for degradation through recruitment to E3 ligases. PROTACs are a revolutionary new modality class with therapeutic potential. Formation of a ternary complex between the degrader, the l...

Phospholipid-hydrolyzing enzymes, such as phospholipases A₂ (PLA₂s) and autotaxin (ATX), have attracted medicinal interest because they are involved in the generation of various inflammatory mediators. PLA₂s hydrolyze membrane phospholipids initiatin...

At present, drug abuse has developed into a social problem. [...]

Quorum Sensing (QS) is a bacterial communication system. [...]

Today, drug abuse has developed into a social problem and begun to demand specific measures from different social sectors and government agencies all over the world. Despite significant efforts made toward relevant mechanistic targets, such as the do...

Enzymes are increasingly used as biocatalysts for the production of Active Pharmaceutical [...]

Fragment-based drug discovery has been established as a powerful method for the assembly of
optimized protein ligands [...]

SCF (SKP1, Cullins, and F-box proteins) E3 ligase, also known. [...]

The Nedd4-1 E3 Ubiquitin ligase has been implicated in multiple disease conditions due its overexpression. Although the Nedd4-1 E3 Ubiquitin ligase is an enzyme that may be targeted either covalently, or non-covalently, there are few studies that dem...

1,2,3-triazole is a well-known scaffold that is. [...]

Staphylococcus aureus is a widespread gram-positive pathogen in humans and animals. Autolysin
E (AtlE) is an enzyme from S. aureus which belongs to the glycoside hydrolase 73 family. [...]

The Plasminogen system is known for being responsible. [...]

Fragment-based drug discovery (FBDD) has become a major strategy to derive novel lead candidates for both new and established therapeutic targets, as it promises efficient exploration of chemical space by employing fragment-sized (MW 300) compounds....

Influenza epidemics are estimated to result in 3–5 million cases of severe illness and 290.000–650.000 deaths per year. [...]

The ubiquitine–proteasome pathway (UPP) plays. [...]

The proteasome degrade most of the proteins in eukaryotic cells, thereby controlling the key
cellular processes [...]

Proteolysis targeting chimera molecules (PROTACS) are heterobifunctional small molecules
designed to induce intracellular protein degradation [...]

Neuroblastoma is the most common solid malignancy in early. [...]

Phosphoenolpyruvate carboxykinase (PEPCK) is a key enzyme in gluconeogenesis, catalyzing
the decarboxylation of oxaloacetate to phosphoenolpyruvate. [...]

Herein, we report our novel epigenetic and PPI. [...]

2-Imidazoline-containing compounds constitute a valuable class of agents that modulate α2-
adrenergic receptors and often show a high affinity for imidazoline I2-receptors (I2-IR). [...]

Bioactive sphingolipids have been recognized to play important roles in both normal and pathological physiology related to the regulations of cell proliferation, differentiation, survival, trafficking, and cell death. [...]

Povarov reaction [1] can be considered as an example of HDA reactions and represents an [...]

The infection of fungal diseases has increased in these last years due to the rise in immunodeficient patients, the resistance to current drugs, and the lack of design of new and efficient molecules against those pathogens [1]. [...]

Docking studies of identified GPR55 ligands using a GPR55 inactive state model allow rationalizing key structural features involved in ligand–receptor binding. On this molecular basis, we have designed novel quinolone sulfonamide derivatives with op...

No targeted therapies exist against aggressive neuroendocrine tumors; hence, these patients are limited to platinum-based chemotherapy that has not advanced in over three decades. [...]

Alzheimer’s disease (AD) is a complex and progressive neurodegenerative disorder. The available therapy is limited to symptomatic treatment, and its efficacy remains unsatisfactory. In view of the prevalence and expected increase in the inciden...

KRN7000 is a synthetic glycosphingolipid developed as an anticancer drug candidate, which
upon association with the CD1d protein activates NKT cells. [...]

Cysteine proteases belonging to the papain superfamily have been recognized as interesting therapeutic targets for the search for new drugs against infectious tropical diseases such as malaria (falcipain), Chagas’ disease (curtain), leishmaniasis, an...

Allosteric sites create opportunities to act on novel targets when their orthosteric sites are not
druggable. [...]

Cancer has now become a global problem and been ranked as the top leading cause of death
worldwide after cardiovascular disease [...]

Fibroblast activation protein (FAP) is a type II transmembrane serine protease that belongs to the dipeptidyl peptidase (DPP) family. Although FAP expression is practically non-existent in the majority of healthy adult tissues, it is clearly upregula...

Glioblastoma is the most common cerebral tumor in adults. The median survival of glioblastoma patients is 12 months. [...]

Cancer constitutes a group of diseases linked to abnormal cell growth that can potentially spread to other parts of the body and is one of the most common causes of death. [...]

Phosphoenolpyruvate carboxykinase (PEPCK) is the key enzyme in gluconeogenesis/glyceroneogenesis, which catalyzes the decarboxylation of oxaloacetate to phosphoenolpyruvate. [...]

Antibiotic resistance is one of the biggest threats to humankind [1,2]. [...]

Targeting epigenetic proteins is a rapidly growing area for medicinal chemistry and drug [...]

Taking into account that the identification of novel molecules for the effective treatment of inflammatory and immune diseases is one of the main present medical needs and one of the major goals of the pharmaceutical industry, the aim of our work is...

Estrogen receptor-beta (ER-beta) is a drug target for memory consolidation in postmenopausal [...]

Leishmaniasis is a complex of vector-borne diseases caused by several species of the protozoan
parasite of the genus Leishmania [...]

Background: The aim of this study was to investigate the process of accumulation of
antioxidants in the herbal extracts depending on the stage of the herbal vegetation and the natural
conditions of the growth. [...]

The underlying idea of any field-based 3-D QSAR is that differences in a target propriety, e.g.,
biological activity, are often closely related to equivalent changes in shapes and intensities of
noncovalent calculated interaction surrounding the molecules [...]

The entry of HIV-1 into permissible cells remains an extremely attractive and underexploited therapeutic intervention point. We have previously demonstrated the ability to extend the chemotypes available for optimization in the entry inhibitor class...

Simultaneous modulation of several targets or pathological events with a key pathogenic role is
a promising strategy to tackle thus far difficult-to-cure or incurable multifactorial diseases [...]

TLR4, a member of the toll-like receptors (TLRs) family, serves as a pattern recognition receptor in the innate immune response to different microbial pathogens. [...]

The overwhelming majority of DNA in the human genome is double-stranded. However,
regions comprising several short guanine-tracts are capable of forming higher-order structures,
termed quadruplexes. [...]

Muramyl dipeptide (MDP, N-acetylmuramyl-l-alanyl-d-isoglutamine) is known as the smallest synthetic adjuvant molecule capable of replacing whole Mycobacteria in Freund’s adjuvant. Numerous MDP derivatives were synthesized with the aim to avoid MDP un...

Aminoimidazoles are relevant scaffolds in medicinal. [...]