The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.

The Halogen Bond

3.7. Palladium Nanoparticles as Catalysts 888 3.8. Other Transition-Metal Complexes 888 3.9. Transition-Metal-Free Reactions 889 4. Applications 889 4.1. Alkynylation of Arenes 889 4.2. Alkynylation of Heterocycles 891 4.3. Synthesis of Enynes and Enediynes 894 4.4. Synthesis of Ynones 896 4.5. Synthesis of Carbocyclic Systems 897 4.6. Synthesis of Heterocyclic Systems 898 4.7. Synthesis of Natural Products 903 4.8. Synthesis of Electronic and Electrooptical Molecules 906

https://www.chem.ccu.edu.tw/~joyce/referance/ericyang/Chem.%20Rev/Chem.%20Rev.%202007,%20107,%20874-922.pdf

The Sonogashira Reaction: A Booming Methodology in Synthetic Organic Chemistry†

Histone deacetylases (HDACs) are part of a vast family of enzymes that have crucial roles in numerous biological processes, largely through their repressive influence on transcription. The expression of many HDAC isoforms in eukaryotic cells raises questions about their possible specificity or redundancy, and whether they control global or specific programmes of gene expression. Recent analyses of HDAC knockout mice have revealed highly specific functions of individual HDACs in development and disease. Mutant mice lacking individual HDACs are a powerful tool for defining the functions of HDACs in vivo and the molecular targets of HDAC inhibitors in disease.

The many roles of histone deacetylases in development and physiology: Implications for disease and therapy

Background: We aimed to investigate the influence of oligomeric forms of β-amyloid (Aβ) and the influence of the duration of exposure on the development of tau ph

/pdf/amyloid-oligomers-exacerbate-tau-pathology-in-a-mouse-model-3oe5hcjtk3.pdf

Amyloid Oligomers Exacerbate Tau Pathology in a Mouse Model of Tauopathy

After nearly five decades "in the making", QSAR modeling has established itself as one of the major computational molecular modeling methodologies. As any mature research discipline, QSAR modeling can be characterized by a collection of well defined protocols and procedures that enable the expert application of the method for exploring and exploiting ever growing collections of biologically active chemical compounds. This review examines most critical QSAR modeling routines that we regard as best practices in the field. We discuss these procedures in the context of integrative predictive QSAR modeling workflow that is focused on achieving models of the highest statistical rigor and external predictive power. Specific elements of the workflow consist of data preparation including chemical structure (and when possible, associated biological data) curation, outlier detection, dataset balancing, and model validation. We especially emphasize procedures used to validate models, both internally and externally, as well as the need to define model applicability domains that should be used when models are employed for the prediction of external compounds or compound libraries. Finally, we present several examples of successful applications of QSAR models for virtual screening to identify experimentally confirmed hits.

Best Practices for QSAR Model Development, Validation, and Exploitation.

Highly selective 5-HT(2C) receptor agonists receptors are disclosed. The 5-HT(2C) receptor agonists are used in the treatments of disease and conditions wherein modulation of 5-HT(2C) receptors provides a benefit, such as obesity and psychiatric disorders.

Highly Selective 5-HT(2C) Receptor Agonists That Show Anti-Psychotic Effects with Antagonist Activity at the 5-HT(2B) Receptor

Disclosed are 2-phenyl-cyclopropylmethanamines which are selective 5-HT(2C) receptor agonists and are used in the treatments of diseases and conditions wherein modulation of 5-HT(2C) receptors provides a benefit, such as obesity and psychiatric disorders.

Cyclopropylmethanamines as selective 5-ht(2c) receptor agonists

Embodiments concern methods and small molecule compositions for selectively inhibiting RAD51-mediated D-loop formation while preserving RAD51's ability to form nucleoprotein filaments. The selective RAD51 D-loop formation activity inhibitors DNA repair while minimizing replication-associated toxicity in normal tissue.

Small molecules inhibitors of rad51

Composes de la formule (I) et leurs sels pharmaceutiquement acceptable. Dans ladite formule, R1 est H, alkyle(C1-C5), OR?a, SRa, N(Ra)(Rb?), halo, NO?2?, NHC(O)[(C1-C4)alkyle] ou NHOH; R2 est un groupe (C5-C22) hydrocarbyle comprenant eventuellement 1-3 liaisons doubles, 1-2 liaisons triples ou un melange de ces deux configurations, ou un aryl(C6-C12))alkyle (C2-C10), la fraction alkyle comprenant eventuellement 1-2 liaisons doubles, 1-2 liaisons triples ou un melange de ces configurations; ce groupe hydrocarbyle (C5-C22) ou ce groupe aryl(C6-C12)alkyle (C2-C10) pouvant eventuellement etre substitue par 1 ou 2 substituts choisis independamment dans le groupe comprenant halo, hydroxy, cyano, nitro, alkyle (C1-C5), alcoxy (C1-C5), trifluoromethyle, trifluoromethoxy, -C(=O)O alkyle (C1-C5) et N(R?e)(Rf); R?1 et R2 ensemble constituent -CH(Rc)-CH2-C(O)-N(Rd)-, -C(Rc)=CH-C(O)N(Rd)-, -C(Rc)=CH-N(Rd)- ou -C(Rc)=CH-O-; R?3? est H, OH ou halo; R?a et Rb? sont independamment H ou alkyle (C?1?-C5); R?c? est un groupe hydrocarbyle (C?5?-C22); R?d? est H ou alkyle (C?1?-C5); R?e et Rf? sont independamment hydrogene, alkyle (C?1?-C5) ou alcanoyle (C1-C5), ou constituent avec l'azote auquel ils sont fixes pyrrolidino, piperidino ou morpholino; Z est H ou alkyle (C1-C5); et Y est H ou alkyle (C1-C5). Ces substances sont des modulateurs de PKC et sont utiles au traitement, notamment, du cancer chez les mammiferes. Sont egalement decrits des compositions pharmaceutiques constituees de composes de la formule (I), des procedes de preparation de composes de la formule (I), et des intermediaires utiles dans la preparation de composes de formule (I).

Derives de benzodizocine a substitution 8-hydrocarbyle, leur preparation et leur utilisation comme modulateurs de la proteine kinase c (pkc)

The present disclosure provides compounds represented by Formula (I): and pharmaceutically acceptable salts, solvates, e.g., hydrates, and prodrugs thereof, wherein X and n are as defined as set forth in the specification. The present disclosure also provides compounds of Formula (I) for use to treat diseases and conditions, e.g., cancer, wherein inhibition of HDAC provides a benefit.

Alan P. Kozikowski

Papers

Highly Selective 5-HT(2C) Receptor Agonists That Show Anti-Psychotic Effects with Antagonist Activity at the 5-HT(2B) Receptor

Cyclopropylmethanamines as selective 5-ht(2c) receptor agonists

Small molecules inhibitors of rad51

Derives de benzodizocine a substitution 8-hydrocarbyle, leur preparation et leur utilisation comme modulateurs de la proteine kinase c (pkc)

Isoxazole Hydroxamic Acids As Histone Deacetylase 6 Inhibitors