Design, synthesis, biological evaluation, and molecular modeling studies of TIBO-like cyclic sulfones as non-nucleoside HIV-1 reverse transcriptase inhibitors.

abstract：:In an attempt to develop potent anticancer agents, a series of 2-anilinonicotinyl-linked acrylamide conjugates were designed, synthesized, and evaluated for cytotoxic activity against various human cancer cell lines, anti-tubulin activity and cell-cycle effects. Among the series, compounds 6 d [(E)-N-(6-fluorobenzo[d]...

journal_title：ChemMedChem

authors： Kamal A,Ashraf M,Khan MN,Nimbarte VD,Faazil S,Subba Reddy NV,Taj S

更新日期：2014-03-28 00:00:00

abstract：:Half-sandwich rhodium(III) polypyridyl (pp) complexes with the metal atom capped by the facial crown thiaether 1,4,7-trithiacyclononane [9]aneS(3) represent a promising class of apoptosis-inducing potent cytostatic agents. The necrotic damage caused by the complexes is negligible. In vitro cytotoxicity assays with the...

journal_title：ChemMedChem

authors： Bieda R,Dobroschke M,Triller A,Ott I,Spehr M,Gust R,Prokop A,Sheldrick WS

更新日期：2010-07-05 00:00:00

abstract：:We recently reported the synthesis and biological evaluation of a novel series of 5-alkyl-2-(N,N-disubstituted)amino-6-(2,6-difluorophenylalkyl)-3,4-dihydropyrimidin-4(3H)-ones (F(2)-N,N-DABOs). These compounds are highly active against both wild-type HIV-1 and the K103N, Y181C, and Y188L mutant strains. Herein we pre...

journal_title：ChemMedChem

authors： Samuele A,Facchini M,Rotili D,Mai A,Artico M,Armand-Ugón M,Esté JA,Maga G

更新日期：2008-09-01 00:00:00

abstract：:New geiparvarin derivatives modified at the unsaturated alkenyloxy bridge, where a hydrogen atom replaces the 3'-methyl group, were synthesized and evaluated against a panel of human tumor cell lines in vitro. These compounds demonstrated an increase in growth inhibitory activity relative to the parent compound, geipa...

journal_title：ChemMedChem

authors： Chimichi S,Boccalini M,Salvador A,Dall'Acqua F,Basso G,Viola G

更新日期：2009-05-01 00:00:00

abstract：:An alternative method to prepare 2-organylchalcogenopheno[2,3-b]pyridines was developed by the insertion of chalcogen species (selenium, sulfur or tellurium), generated in situ, into 2-chloro-3-(organylethynyl)pyridines by using the NaBH4 /PEG-400 reducing system, followed by an intramolecular cyclization. It was poss...

journal_title：ChemMedChem

authors： Peglow TJ,Bartz RH,Martins CC,Belladona AL,Luchese C,Wilhelm EA,Schumacher RF,Perin G

更新日期：2020-09-16 00:00:00

abstract：:Selectivity is a central aspect of lead optimization in the drug discovery process. Medicinal chemists often try to decrease molecular flexibility to improve selectivity, given the common belief that the two are interdependent. To investigate the relationship between polypharmacology and conformational flexibility, we...

journal_title：ChemMedChem

authors： He MW,Lee PS,Sweeney ZK

更新日期：2015-02-01 00:00:00

abstract：:HIV protease is a promising drug target for AIDS therapy, and several potent HIV-1 protease inhibitors have been reported to date. Although existing inhibitors exhibit high selectivity, they have also been associated with severe side effects and the possible emergence of therapeutic resistance. As HIV protease cleaves...

journal_title：ChemMedChem

authors： Bhattacharya AK,Rana KC,Pannecouque C,De Clercq E

更新日期：2012-09-01 00:00:00

abstract：:We designed and synthesized two novel series of azapodophyllotoxin analogues as potential antivascular agents. A linker was inserted between the trimethoxyphenyl ring E and the tetracyclic ABCD moiety of the 4-aza-1,2-didehydropodophyllotoxins. In the first series, the linker enables free rotation between the two moie...

journal_title：ChemMedChem

authors： Labruère R,Gautier B,Testud M,Seguin J,Lenoir C,Desbène-Finck S,Helissey P,Garbay C,Chabot GG,Vidal M,Giorgi-Renault S

更新日期：2010-12-03 00:00:00

abstract：:alpha,beta-Unsaturated carbonyl compounds as potential drug candidates is a controversial topic since their potential Michael acceptor activity can lead to cell damage and cytotoxicity. Nevertheless, the alpha,beta-unsaturated carbonyl functionality can be employed as a tool to fine tune biological activity by directl...

journal_title：ChemMedChem

authors： Amslinger S

更新日期：2010-03-01 00:00:00

abstract：:The DATA chelators are a novel class of tri-anionic ligands based on 6-amino-1,4-diazepine-triacetic acid, which have been introduced recently for the chelation of (68)Ga. Compared with macrocyclic chelators based on the cyclen scaffold (i.e., DOTA, DO3A, and DO2A derivatives), DATA chelators undergo quantitative radi...

journal_title：ChemMedChem

authors： Seemann J,Waldron BP,Roesch F,Parker D

更新日期：2015-06-01 00:00:00

abstract：:Singling out the truth: A combined application of STD-NMR, molecular docking, and CORCEMA-ST calculations is described as an attractive, easily applicable tool for the identification and validation of the binding site for allosteric ligands, with potential application as an aid in drug discovery research. ...

journal_title：ChemMedChem

authors： Zhang W,Li R,Shin R,Wang Y,Padmalayam I,Zhai L,Krishna NR

更新日期：2013-10-01 00:00:00

abstract：:Protein disulfide isomerase (PDI) is overexpressed in glioblastoma, the most aggressive form of brain cancer, and folds nascent proteins responsible for the progression and spread of the disease. Herein we describe a novel nanomolar PDI inhibitor, pyrimidotriazinedione 35G8, that is toxic in a panel of human glioblast...

journal_title：ChemMedChem

authors： Kyani A,Tamura S,Yang S,Shergalis A,Samanta S,Kuang Y,Ljungman M,Neamati N

更新日期：2018-01-22 00:00:00

abstract：:The enzyme cyclooxygenase-2 (COX-2) is overexpressed in many cancers, cardiovascular disease, neurodegenerative disorders, and arthritis. Selective inhibitors of COX-2 have been developed as therapeutics or preventive agents for these diseases. However, recent reports have revealed a significant increase in cardiovasc...

journal_title：ChemMedChem

authors： Schuller HM,Kabalka G,Smith G,Mereddy A,Akula M,Cekanova M

更新日期：2006-06-01 00:00:00

abstract：:First reported in the late 1930s and partly explained in 1970, the antibacterial activity of pectin remained almost ignored until the late 1990s. The concomitant emergence of research on natural antibacterials and new usages of pectin polysaccharides, including those in medicine widely researched in Russia, has led to...

journal_title：ChemMedChem

authors： Ciriminna R,Fidalgo A,Meneguzzo F,Presentato A,Scurria A,Nuzzo D,Alduina R,Ilharco LM,Pagliaro M

更新日期：2020-08-28 00:00:00

abstract：:Detailed information on the metabolic fate of lead compounds can be a powerful tool for an informed approach to the stabilization of metabolically labile compounds in the lead optimization phase. The combination of high performance liquid chromatography (HPLC) with nuclear magnetic resonance (NMR) spectroscopy and mas...

journal_title：ChemMedChem

authors： Ceccarelli SM,Schlotterbeck G,Boissin P,Binder M,Buettelmann B,Hanlon S,Jaeschke G,Kolczewski S,Kupfer E,Peters JU,Porter RH,Prinssen EP,Rueher M,Ruf I,Spooren W,Stämpfli A,Vieira E

更新日期：2008-01-01 00:00:00

abstract：:The disruption of aberrant protein-protein interactions (PPIs) with synthetic agents remains a challenging goal in contemporary medicinal chemistry but some progress has been made. One such dysregulated PPI is that between the anti-apoptotic Bcl-2 proteins, including myeloid cell leukemia-1 (Mcl-1), and the α-helical ...

journal_title：ChemMedChem

authors： Drennen B,Scheenstra JA,Yap JL,Chen L,Lanning ME,Roth BM,Wilder PT,Fletcher S

更新日期：2016-04-19 00:00:00

abstract：:With the widespread occurrence of bacterial resistance to antibiotics, the development of new strategies beyond conventional treatments is a pursuit taken by public health institutions worldwide. LasR, a transcription factor that controls quorum sensing in Pseudomonas aeruginosa, has emerged as an attractive therapeut...

journal_title：ChemMedChem

authors： Skovstrup S,Le Quement ST,Hansen T,Jakobsen TH,Harmsen M,Tolker-Nielsen T,Nielsen TE,Givskov M,Taboureau O

更新日期：2013-01-01 00:00:00

abstract：:The three databases of PubChem, ChemSpider, and UniChem capture the majority of open chemical structure records with February 2018 totals of 95, 63, and 154 million, respectively. Collectively, they constitute a massively enabling resource for cheminformatics, chemical biology, and drug discovery. As meta-portals, the...

journal_title：ChemMedChem

authors： Southan C

更新日期：2018-03-20 00:00:00

abstract：:The NLRP3 inflammasome is an important regulator of the sterile inflammatory response, and its activation by host-derived sterile molecules leads to the intracellular activation of caspase-1, processing of the pro-inflammatory cytokines interleukin-1β (IL-1β)/IL-18, and pyroptotic cell death. Inappropriate activation ...

journal_title：ChemMedChem

authors： Baldwin AG,Tapia VS,Swanton T,White CS,Beswick JA,Brough D,Freeman S

更新日期：2018-02-20 00:00:00

abstract：:Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) is a potential drug target for malaria. We previously reported some 5'-tritylated deoxyuridine analogues (both cyclic and acyclic) as selective inhibitors of the Plasmodium falciparum dUTPase. Modelling studies indicated that it might be possible to replace th...

journal_title：ChemMedChem

authors： Hampton SE,Baragaña B,Schipani A,Bosch-Navarrete C,Musso-Buendía JA,Recio E,Kaiser M,Whittingham JL,Roberts SM,Shevtsov M,Brannigan JA,Kahnberg P,Brun R,Wilson KS,González-Pacanowska D,Johansson NG,Gilbert IH

更新日期：2011-10-04 00:00:00

abstract：:Based on the crystal structures of human alpha-GalCer-CD1d and iNKT-alpha-GalCer-CD1d complexes, nonglycosidic analogues of alpha-GalCer were synthesized. They activate iNKT cells resulting in dendritic cell maturation and the priming of antigen-specific T and B cells. Therefore, they are attractive adjuvants in vacci...

journal_title：ChemMedChem

authors： Reddy BG,Silk JD,Salio M,Balamurugan R,Shepherd D,Ritter G,Cerundolo V,Schmidt RR

更新日期：2009-02-01 00:00:00

abstract：:The global fight to stop tuberculosis (TB) remains a great challenge, particularly with the increase in drug-resistant strains and a lack of funding to support the development of new treatments. To bolster a precarious drug pipeline, we prepared a focused panel of eight pentafluorosulfanyl (SF5 ) compounds which were ...

journal_title：ChemMedChem

authors： Moraski GC,Bristol R,Seeger N,Boshoff HI,Tsang PS,Miller MJ

更新日期：2017-07-20 00:00:00

abstract：:Over the past few years, the number of people diagnosed with type 2 diabetes has increased owing to an unhealthy diet, a limited amount of exercise, and obesity. The search for novel and efficient antidiabetes agents has become an urgent task for scientists. Among the antidiabetes drugs, α-glucosidase inhibitor drugs ...

journal_title：ChemMedChem

authors： Liu Z,Ma S

更新日期：2017-06-07 00:00:00

abstract：:The Cdc25 dual specificity phosphatases have central roles in coordinating cellular signalling processes and cell proliferation. It has been reported that an improper amplification or activation of these enzymes is a distinctive feature of a number of human cancers, including breast cancers. Thus, the inhibition of Cd...

journal_title：ChemMedChem

authors： Lavecchia A,Cosconati S,Limongelli V,Novellino E

更新日期：2006-05-01 00:00:00

abstract：:Following the discovery of a type III allosteric modulator of cyclin-dependent kinase 2 (CDK2) characterized by a hexahydrocyclopenta[c]quinolone scaffold, three different series of its derivatives were synthesized and biologically evaluated. Docking of the synthesized compounds into the allosteric pocket of CDK2 allo...

journal_title：ChemMedChem

authors： Carlino L,Christodoulou MS,Restelli V,Caporuscio F,Foschi F,Semrau MS,Costanzi E,Tinivella A,Pinzi L,Lo Presti L,Battistutta R,Storici P,Broggini M,Passarella D,Rastelli G

更新日期：2018-12-20 00:00:00

abstract：:There has been significant interest in spleen tyrosine kinase (Syk) owing to its role in a number of disease states, including autoimmunity, inflammation, and cancer. Ongoing therapeutic programs have resulted in several compounds that are now in clinical use. Herein we report our optimization of the imidazopyrazine c...

journal_title：ChemMedChem

authors： Lovering F,Aevazelis C,Chang J,Dehnhardt C,Fitz L,Han S,Janz K,Lee J,Kaila N,McDonald J,Moore W,Moretto A,Papaioannou N,Richard D,Ryan MS,Wan ZK,Thorarensen A

更新日期：2016-01-19 00:00:00

abstract：:Nucleoside analogues are extensively used as antiviral and anticancer agents. Their efficiency is dependent on their metabolism into the ultimately active nucleoside triphosphates. Often one step or even more in the metabolism of the nucleoside to the triphosphate is inefficient. To overcome this hurdle, prodrugs of t...

journal_title：ChemMedChem

authors： Weinschenk L,Gollnest T,Schols D,Balzarini J,Meier C

更新日期：2015-05-01 00:00:00

abstract：:β-Lactamases (BLs) are important antibiotic-resistance determinants that significantly compromise the efficacy of valuable β-lactam antibacterial drugs. Thus, combinations with BL inhibitor were developed. Avibactam is the first non-β-lactam BL inhibitor introduced into clinical practice. Ceftazidime-avibactam represe...

journal_title：ChemMedChem

authors： Pozzi C,Di Pisa F,De Luca F,Benvenuti M,Docquier JD,Mangani S

更新日期：2018-07-18 00:00:00

abstract：:Insulin resistance is a major pathophysiological feature in the development of type 2 diabetes (T2DM). Ferulic acid is known for attenuating the insulin resistance and reducing the blood glucose in T2DM rats. In this work, we designed and synthesized a library of new ferulic acid amides (FAA), which could be considere...

journal_title：ChemMedChem

authors： Yasmin S,Cerchia C,Badavath VN,Laghezza A,Dal Piaz F,Mondal SK,Atlı Ö,Baysal M,Vadivelan S,Shankar S,Siddique MUM,Pattnaik AK,Singh RP,Loiodice F,Jayaprakash V,Lavecchia A

更新日期：2020-10-08 00:00:00

abstract：:Despite improvements in the treatment and prevention of cancer, the number of new diagnoses continues to rise; this has fuelled substantial interest in the development of new and effective chemotherapeutic agents. Compounds of the triazene class, such as dacarbazine, have been used in the clinical management of many c...

journal_title：ChemMedChem

authors： Diana P,Stagno A,Barraja P,Carbone A,Parrino B,Dall'Acqua F,Vedaldi D,Salvador A,Brun P,Castagliuolo I,Issinger OG,Cirrincione G

更新日期：2011-07-04 00:00:00