Correction: Recent updates in the discovery and development of novel antimalarial drug candidates.


:[This corrects the article DOI: 10.1039/C7MD00637C.].






Okombo J,Chibale K




Has Abstract


2018-03-02 00:00:00














  • Synthesis, biological evaluation, and structure activity relationship (SAR) study of pyrrolidine amide derivatives as N-acylethanolamine acid amidase (NAAA) inhibitors.

    abstract::N-Acylethanolamine acid amidase (NAAA) is one of the key enzymes involved in the degradation of fatty acid ethanolamides (FAEs), especially for palmitoylethanolamide (PEA). Pharmacological blockage of NAAA restores PEA levels, providing therapeutic benefits in the management of inflammation and pain. In the current wo...


    pub_type: 杂志文章


    authors: Zhou P,Xiang L,Zhao D,Ren J,Qiu Y,Li Y

    更新日期:2018-12-18 00:00:00

  • Covalent Tethering of Fragments For Covalent Probe Discovery.

    abstract::Covalent probes and drugs have found widespread use as research tools and clinical agents. Covalent probes are useful because of their increased intracellular potency and because covalent labeling of cellular proteins can be tracked using click chemistry. Covalent drugs, on the other hand, can overcome drug resistance...


    pub_type: 杂志文章


    authors: Kathman SG,Statsyuk AV

    更新日期:2016-04-01 00:00:00

  • Exploration of [2 + 2 + 2] cyclotrimerisation methodology to prepare tetrahydroisoquinoline-based compounds with potential aldo-keto reductase 1C3 target affinity.

    abstract::Tetrahydroisoquinoline (THIQ) is a key structural component in many biologically active molecules including natural products and synthetic pharmaceuticals. Here, we report on the use of transition-metal mediated [2 + 2 + 2] cyclotrimerisation of alkynes to generate tricyclic THIQs with potential to selectively inhibit...


    pub_type: 杂志文章


    authors: Santos ARN,Sheldrake HM,Ibrahim AIM,Danta CC,Bonanni D,Daga M,Oliaro-Bosso S,Boschi D,Lolli ML,Pors K

    更新日期:2019-06-27 00:00:00

  • Benzophenone: a ubiquitous scaffold in medicinal chemistry.

    abstract::The benzophenone scaffold represents a ubiquitous structure in medicinal chemistry because it is found in several naturally occurring molecules which exhibit a variety of biological activities, such as anticancer, anti-inflammatory, antimicrobial, and antiviral. In addition, various synthetic benzophenone motifs are p...


    pub_type: 杂志文章,评审


    authors: Surana K,Chaudhary B,Diwaker M,Sharma S

    更新日期:2018-08-23 00:00:00

  • Diazabicyclo analogues of maraviroc: synthesis, modeling, NMR studies and antiviral activity.

    abstract::Two diazabicyclo analogues of maraviroc, in which the azabicyclooctane moiety is replaced by diazabicyclooctane or diazabicyclononane, were synthesized and tested, through a viral neutralization assay, on a panel of six pseudoviruses. The diazabicyclooctane derivative maintained a significant infectivity reduction pow...


    pub_type: 杂志文章


    authors: Legnani L,Colombo D,Venuti A,Pastori C,Lopalco L,Toma L,Mori M,Grazioso G,Villa S

    更新日期:2016-12-16 00:00:00

  • Biochemical and microbiological evaluation of N-aryl urea derivatives against mycobacteria and mycobacterial hydrolases.

    abstract::A focused library of 24 N-aryl urea derivatives was prepared and evaluated against serine esterases of Mycobacterium tuberculosis (Mtb) Rv3802c and Mtb Ag85C. The members of the library were evaluated for both selectivity and mode of inhibition. Furan-based urea derivative 6c was found to be the most potent non-covale...


    pub_type: 杂志文章


    authors: Vartak A,Goins C,de Moura VCN,Schreidah CM,Landgraf AD,Lin B,Du J,Jackson M,Ronning DR,Sucheck SJ

    更新日期:2019-06-04 00:00:00

  • Synthesis of dihydronaphthalene analogues inspired by combretastatin A-4 and their biological evaluation as anticancer agents.

    abstract::The natural products colchicine and combretastatin A-4 (CA4) have provided inspiration for the discovery and development of a wide array of derivatives and analogues that inhibit tubulin polymerization through a binding interaction at the colchicine site on β-tubulin. A water-soluble phosphate prodrug salt of CA4 (ref...


    pub_type: 杂志文章


    authors: Maguire CJ,Chen Z,Mocharla VP,Sriram M,Strecker TE,Hamel E,Zhou H,Lopez R,Wang Y,Mason RP,Chaplin DJ,Trawick ML,Pinney KG

    更新日期:2018-08-24 00:00:00

  • Synthesis, structure-activity relationship and binding mode analysis of 4-thiazolidinone derivatives as novel inhibitors of human dihydroorotate dehydrogenase.

    abstract::A series of 4-thiazolidinone derivatives were synthesized and evaluated as novel human dihydroorotate dehydrogenase (hDHODH) inhibitors. Compounds 26 and 31 displayed IC50 values of 1.75 and 1.12 μM, respectively. The structure-activity relationship was summarized. Further binding mode analysis revealed that compound ...


    pub_type: 杂志文章


    authors: Zeng F,Qi T,Li C,Li T,Li H,Li S,Zhu L,Xu X

    更新日期:2017-04-26 00:00:00

  • Preparation and evaluation of 99mTc-labeled porphyrin complexes prepared using PNP and HYNIC cores: studying the effects of core selection on pharmacokinetics and tumor uptake in a mouse model.

    abstract::Porphyrins are tetrapyrrolic macrocyclic ligands known for their affinity towards neoplastic tissues and once radiolabeled with a suitable diagnostic radioisotope could potentially be used for the imaging of tumorous lesions. In the present study, an unsymmetrically substituted porphyrin derivative namely 5-(p-amino-p...


    pub_type: 杂志文章


    authors: Guleria M,Das T,Vats K,Amirdhanayagam J,Mathur A,Sarma HD,Dash A

    更新日期:2019-02-22 00:00:00

  • Design, synthesis and evaluation of indole derivatives as multifunctional agents against Alzheimer's disease.

    abstract::A series of indole derivatives was designed and synthesised to improve on activity and circumvent pharmacokinetic limitations experienced with the structurally related compound, ladostigil. The compounds consisted of a propargylamine moiety (a known MAO inhibitor and neuroprotector) at the N1 position and a ChE inhibi...


    pub_type: 杂志文章


    authors: Denya I,Malan SF,Enogieru AB,Omoruyi SI,Ekpo OE,Kapp E,Zindo FT,Joubert J

    更新日期:2018-01-16 00:00:00

  • Discovery of a tetrazolyl β-carboline with in vitro and in vivo osteoprotective activity under estrogen-deficient conditions.

    abstract::β-Carbolines have been assessed for osteoclastogenesis. However, their effect on osteoblasts during estrogen deficiency is still unclear. Here, a series of novel piperazine and tetrazole tag β-carbolines have been synthesized and examined for osteoblast differentiation in vitro. In vitro data suggest that compound 8g ...


    pub_type: 杂志文章


    authors: Karvande A,Khan S,Khan I,Singh D,Khedgikar V,Kushwaha P,Ahmad N,Kothari P,Dhasmana A,Kant R,Trivedi R,Chauhan PMS

    更新日期:2018-06-12 00:00:00

  • Optimizing PK properties of cyclic peptides: the effect of side chain substitutions on permeability and clearance().

    abstract::A series of cyclic peptides were designed and prepared to investigate the physicochemical properties that affect oral bioavailabilty of this chemotype in rats. In particular, the ionization state of the peptide was examined by the incorporation of naturally occurring amino acid residues that are charged in differing r...


    pub_type: 杂志文章


    authors: Rand AC,Leung SS,Eng H,Rotter CJ,Sharma R,Kalgutkar AS,Zhang Y,Varma MV,Farley KA,Khunte B,Limberakis C,Price DA,Liras S,Mathiowetz AM,Jacobson MP,Lokey RS

    更新日期:2012-10-01 00:00:00

  • Facilitating the presentation of antigen peptides on dendritic cells for cancer immunotherapy using a polymer-based synthetic receptor.

    abstract::The introduction of proteins into dendritic cells (DCs) ex vivo is a critical step for the DC-based immunotherapy of cancer. Here, we developed a biotin-modified polymer with multiple hydrophobic membrane anchors for cells that functions as a synthetic receptor for an antigen protein, ovalbumin (OVA), to introduce it ...


    pub_type: 杂志文章


    authors: Li C,Takeo M,Matsuda M,Nagai H,Xizheng S,Hatanaka W,Kishimura A,Inoue H,Tani K,Mori T,Katayama Y

    更新日期:2017-05-12 00:00:00

  • Synthetic glycopeptides as a designated standard in focused glycoproteomics to discover serum cancer biomarkers.

    abstract::Previous studies on the large-scale glycomics of more than 3500 human serum samples revealed that the serum glycoproteins of cancer patients often have more dominant and specific glycoforms, namely, branched tri- and tetra-antennary N-glycans, most cancer patient groups than normal control groups. We herein establishe...


    pub_type: 杂志文章


    authors: Yogesh KV,Kamiyama T,Ohyama C,Yoneyama T,Nouso K,Kimura S,Hinou H,Nishimura SI

    更新日期:2018-06-29 00:00:00

  • Adaptive mechanisms of resistance to anti-neoplastic agents.

    abstract::Intrinsic and acquired resistance to conventional and targeted therapeutics is a fundamental reason for treatment failure in many cancer patients. Targeted approaches to overcome chemoresistance as well as resistance to targeted approaches require in depth understanding of the underlying molecular mechanisms. The anti...


    pub_type: 杂志文章,评审


    authors: Ferreira BI,Lie MK,Engelsen AST,Machado S,Link W,Lorens JB

    更新日期:2016-10-21 00:00:00

  • Structure-optimized dihydropyranoindole derivative GIBH-LRA002 potentially reactivated viral latency in primary CD4+ T lymphocytes of chronic HIV-1 patients.

    abstract::Based on structure modification and a high-throughput Jurkat-Lat cell screening model, we found that GIBH-LRA002, ethyl-2-amino-3-cyano-9-methyl-4-(trifluoromethyl)-4,9-dihydropyrano[2,3-b]indole-4-carboxylate, effectively reactivated the latent proviruses in a Jurkat-Lat cell line and primary CD4+ T cells from both c...


    pub_type: 杂志文章


    authors: Yang Q,Ding Y,Feng F,Pan E,Fan X,Ma X,Chen L,Zhao J,Sun C

    更新日期:2017-07-25 00:00:00

  • A complex game of hide and seek: the search for new antifungals.

    abstract::Fungal infections directly affect millions of people each year. In addition to the invasive fungal infections of humans, the plants and animals that comprise our primary food source are also susceptible to diseases caused by these eukaryotic microbes. The need for antifungals, not only for our medical needs, but also ...


    pub_type: 杂志文章


    authors: Ngo HX,Garneau-Tsodikova S,Green KD

    更新日期:2016-07-01 00:00:00

  • Design, synthesis and initial biological evaluation of a novel pladienolide analog scaffold.

    abstract::A novel and simplified synthetic scaffold based on pladienolide was designed using a consensus pharmacophore hypothesis. An initial target was synthesized and evaluated to examine the role of the 3-hydroxy group and the methyl groups present at positions 10, 16, 20, 22 in 1, on biological activity. We report the first...


    pub_type: 杂志文章


    authors: Gundluru MK,Pourpak A,Cui X,Morris SW,Webb TR

    更新日期:2011-01-01 00:00:00

  • Developing novel C-4 analogues of pyrrole-based antitubulin agents: weak but critical hydrogen bonding in the colchicine site.

    abstract::The synthesis, biological evaluation and molecular modeling of a series of pyrrole compounds related to 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylic acid that evaluates and optimizes C-4 substituents are reported. The key factor for microtubule depolymerization activity appears to be the presence of an ...


    pub_type: 杂志文章


    authors: Da C,Telang N,Hall K,Kluball E,Barelli P,Finzel K,Jia X,Gupton JT,Mooberry SL,Kellogg GE

    更新日期:2013-01-01 00:00:00

  • Rationally synthesized coumarin based pyrazolines ameliorate carrageenan induced inflammation through COX-2/pro-inflammatory cytokine inhibition.

    abstract::In the present work, coumarin based pyrazolines (7a-g) have been synthesized and investigated for their in vitro and in vivo anti-inflammatory potential. Amongst the synthesized compounds, compounds 7a, 7d and 7f exhibited significant in vitro anti-inflammatory activity as compared to the standard etoricoxib. Keeping ...


    pub_type: 杂志文章


    authors: Chandel P,Kumar A,Singla N,Kumar A,Singh G,Gill RK

    更新日期:2019-01-23 00:00:00

  • Synthesis and synergistic antifungal effects of monoketone derivatives of curcumin against fluconazole-resistant Candida spp.

    abstract::Twenty-three monoketone derivatives of curcumin were synthesized to investigate the synergy with fluconazole against fluconazole-resistant Candida spp. The minimal inhibitory concentration (MIC80) and the fractional inhibitory concentration index (FICI) of the antifungal synergist fluconazole were measured against flu...


    pub_type: 杂志文章


    authors: Zhao F,Dong HH,Wang YH,Wang TY,Yan ZH,Yan F,Zhang DZ,Cao YY,Jin YS

    更新日期:2017-03-17 00:00:00

  • Repositioning Salirasib as a new antimalarial agent.

    abstract::Malaria is a serious tropical disease that kills thousands of people every year, mainly in Africa, due to Plasmodium falciparum infections. Salirasib is a promising cancer drug candidate that interferes with the post-translational modification of Ras. This S-farnesyl thiosalicylate inhibits isoprenylcysteine carboxyl ...


    pub_type: 杂志文章


    authors: Porta EOJ,Bofill Verdaguer I,Perez C,Banchio C,Ferreira de Azevedo M,Katzin AM,Labadie GR

    更新日期:2019-06-21 00:00:00

  • Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns.

    abstract::Phenotypic screening is in a renaissance phase and is expected by many academic and industry leaders to accelerate the discovery of new drugs for new biology. Given that phenotypic screening is per definition target agnostic, the emphasis of in silico and in vitro follow-up work is on the exploration of possible molec...


    pub_type: 杂志文章


    authors: Digles D,Zdrazil B,Neefs JM,Van Vlijmen H,Herhaus C,Caracoti A,Brea J,Roibás B,Loza MI,Queralt-Rosinach N,Furlong LI,Gaulton A,Bartek L,Senger S,Chichester C,Engkvist O,Evelo CT,Franklin NI,Marren D,Ecker GF,Jacob

    更新日期:2016-06-01 00:00:00

  • Synthesis and in vitro study of novel borneol derivatives as potent inhibitors of the influenza A virus.

    abstract::Herein, we present the design and synthesis of a series of novel heterocyclic derivatives of (-)-borneol and (-)-isoborneol as potent inhibitors of the influenza A virus. All compounds were tested for their toxicity against MDCK cells and for virus-inhibiting activity against the influenza virus A/Puerto Rico/8/34 (H1...


    pub_type: 杂志文章


    authors: Sokolova AS,Yarovaya OI,Semenova MD,Shtro AA,Orshanskaya IR,Zarubaev VV,Salakhutdinov NF

    更新日期:2017-03-03 00:00:00

  • Synthesis of DNA-coupled isoquinolones and pyrrolidines by solid phase ytterbium- and silver-mediated imine chemistry.

    abstract::DNA-encoded libraries of chemically synthesized compounds are an important small molecule screening technology. The synthesis of encoded compounds in solution is currently restricted to a few DNA-compatible and water-tolerant reactions. Encoded compound synthesis of short DNA-barcodes covalently connected to solid sup...


    pub_type: 杂志文章


    authors: Potowski M,Kunig VBK,Losch F,Brunschweiger A

    更新日期:2019-02-26 00:00:00

  • Hepatocellular targeted α-tocopherol based pH sensitive galactosylated lipids: design, synthesis and transfection studies.

    abstract::Receptor mediated gene delivery to the liver offers advantages in treating genetic disorders such as hemophilia and hereditary tyrosinemia type I (HTI). Prior findings demonstrated that tethering the d-galactose head group to cationic lipids directs genes to the liver via asialoglycoprotein receptors (ASGPRs). In our ...


    pub_type: 杂志文章


    authors: Muripiti V,Lohchania B,Marepally SK,Patri SV

    更新日期:2017-12-06 00:00:00

  • Synthesis and biological activity evaluation of novel peroxo-bridged derivatives as potential anti-hepatitis B virus agents.

    abstract::Previous studies have demonstrated that natural steroid compounds containing a peroxide bridge exhibited potential anti-hepatitis B virus activity. To continue our research, a simple and regioselective methodology, using Eosin Y as a clean photosensitized oxidation catalyst, was developed for the synthesis of a peroxi...


    pub_type: 杂志文章


    authors: Jia M,Zhao R,Xu B,Yan W,Chu F,Gu H,Xie T,Xiang H,Ren J,Chen D,Wang P,Lei H

    更新日期:2016-10-19 00:00:00

  • A systematic analysis of atomic protein-ligand interactions in the PDB.

    abstract::As the protein databank (PDB) recently passed the cap of 123 456 structures, it stands more than ever as an important resource not only to analyze structural features of specific biological systems, but also to study the prevalence of structural patterns observed in a large body of unrelated structures, that may refle...


    pub_type: 杂志文章


    authors: Ferreira de Freitas R,Schapira M

    更新日期:2017-10-01 00:00:00

  • Novel lead compounds in pre-clinical development against African sleeping sickness.

    abstract::Human African trypanosomiasis (HAT), also known as African sleeping sickness, is caused by parasitic protozoa of the genus Trypanosoma. As the disease progresses, the parasites cross the blood brain barrier and are lethal for the patients if the disease is left untreated. Current therapies suffer from several drawback...


    pub_type: 杂志文章,评审


    authors: Berninger M,Schmidt I,Ponte-Sucre A,Holzgrabe U

    更新日期:2017-07-31 00:00:00

  • Kaolin alleviates the toxicity of graphene oxide for mammalian cells.

    abstract::The development of novel nanoscale vehicles for drug delivery promotes the growth of interest in investigations of interaction between nanomaterials. In this paper, we report the in vitro studies of eukaryotic cell physiological response to incubation with graphene oxide and planar kaolin nanoclay. Graphene family mat...


    pub_type: 杂志文章


    authors: Rozhina E,Batasheva S,Danilushkina A,Kryuchkova M,Gomzikova M,Cherednichenko Y,Nigamatzyanova L,Akhatova F,Fakhrullin R

    更新日期:2019-06-10 00:00:00