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Crystallographic and SAR analyses reveal the high requirements needed to selectively and potently inhibit SIRT2 deacetylase and decanoylase

期刊: MEDCHEMCOMM, 2019; 10 (1)

A high-quality X-ray crystal structure reveals the mechanism of compound 1a inhibiting SIRT2 deacetylase and decanoylase. Structure-activity relations......

JIF:2.39

ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness

期刊: MEDCHEMCOMM, 2019; 10 (1)

Chemical absorption, distribution, metabolism, excretion, and toxicity (ADMET), play key roles in drug discovery and development. A high-quality drug ......

JIF:2.39

Molecular modelling studies of quinazolinone derivatives as MMP-13 inhibitors by QSAR, molecular docking and molecular dynamics simulations techniques

期刊: MEDCHEMCOMM, 2019; 10 (1)

Matrix metalloproteinase-13 (MMP-13) is an attractive drug target for the treatment of osteoarthritis (OA). In this study, a series of quinazolinone d......

JIF:2.39

Design and synthesis of heteroaromatic-based benzenesulfonamide derivatives as potent inhibitors of H5N1 influenza A virus

期刊: MEDCHEMCOMM, 2019; 10 (1)

Influenza A virus is an enveloped negative single-stranded RNA virus that causes febrile respiratory infection and represents a clinically challenging......

JIF:2.39

Design, synthesis, and in vitro biological evaluation of novel benzimidazole tethered allylidenehydrazinylmethylthiazole derivatives as potent inhibitors of Mycobacterium tuberculosis

期刊: MEDCHEMCOMM, 2019; 10 (1)

Tuberculosis (TB) has become one of the most significant public health problems in recent years. Antibiotic therapy remains the mainstay of TB control......

JIF:2.39

Discovery of monoamine oxidase inhibitors by medicinal chemistry approaches

期刊: MEDCHEMCOMM, 2019; 10 (1)

Neuropsychiatric disorders, such as Alzheimer's disease (AD), Parkinson's disease (PD) and depression, have seriously inconvenienced the lives of pati......

JIF:2.39

Design, synthesis and biological evaluation of novel 2-phenyl pyrimidine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors

期刊: MEDCHEMCOMM, 2019; 10 (2)

BTK is an effective target for the treatment of B-cell malignant tumors and autoimmune diseases. In this work, a series of 2-phenyl pyrimidine derivat......

JIF:2.39

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

期刊: MEDCHEMCOMM, 2019; 10 (2)

N-Acylethanolamine acid amidase (NAAA) is one of the key enzymes involved in the degradation of fatty acid ethanolamides (FAEs), especially for palmit......

JIF:2.39

Identification and biological evaluation of novel benzothiazole derivatives bearing a pyridine-semicarbazone moiety as apoptosis inducers via activation of procaspase-3 to caspase-3

期刊: MEDCHEMCOMM, 2019; 10 (3)

Three series of compounds were designed, synthesized and evaluated for their in vitro anticancer activity against a procaspase-3 over-expression cance......

JIF:2.39

Conformationally restricted quinazolone derivatives as PI3K-selective inhibitors: the design, synthesis and biological evaluation

期刊: MEDCHEMCOMM, 2019; 10 (3)

A series of structurally novel quinazolone-based PI3K-selective inhibitors were designed and synthesized via the approach of conformational restrictio......

JIF:2.39

Novel carbohydrate modified berberine derivatives: synthesis and in vitro anti-diabetic investigation

期刊: MEDCHEMCOMM, 2019; 10 (4)

Berberine is a bioactive alkaloid used in Chinese medicine and has numerous positive effects on biological systems. This paper describes the facile an......

JIF:2.39

Synthesis and discovery of asiatic acid based 1,2,3-triazole derivatives as antitumor agents blocking NF-kappa B activation and cell migration

期刊: MEDCHEMCOMM, 2019; 10 (4)

A series of asiatic acid (AA) based 1,2,3-triazole derivatives were designed, synthesized and subjected to a cell-based NF-kappa B inhibition screenin......

JIF:2.39

Design, synthesis and biological evaluation of tryptamine salicylic acid derivatives as potential antitumor agents

期刊: MEDCHEMCOMM, 2019; 10 (4)

A series of tryptamine salicylic acid derivatives were synthesized and their antiproliferative activity against MGC-803, MCF-7, HepG2, A549 and HeLa c......

JIF:2.39

Synthesis and immunogenicity of the Mycobacterium tuberculosis arabinomannan-CRM197 conjugate

期刊: MEDCHEMCOMM, 2019; 10 (4)

Lipoarabinomannan (LAM) is a major structural surface component of Mycobacterium tuberculosis. This study describes the synthesis of the well-defined ......

JIF:2.39

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