Evaluation of the inhibitory effects of eckol and dieckol isolated from edible brown alga Eisenia bicyclis on human monoamine oxidases A and B

HA Jung, A Roy, JH Jung, JS Choi - Archives of pharmacal research, 2017 - Springer
Eckol and dieckol are important phlorotannins found in edible brown algae including
Eisenia bicyclis, Ecklonia stolonifera, and others. Inhibition of monoamine oxidase (MAO) …

Design and synthesis of sulfonamide-substituted diphenylpyrimidines (SFA-DPPYs) as potent Bruton's tyrosine kinase (BTK) inhibitors with improved activity toward B …

H Liu, M Qu, L Xu, X Han, C Wang, X Shu, J Yao… - European Journal of …, 2017 - Elsevier
A new series of diphenylpyrimidine derivatives (SFA-DPPYs) were synthesized by
introducing a functional sulfonamide into the C-2 aniline moiety of pyrimidine template, and …

Synthesis of two potential anticancer copper (II) complex drugs: their crystal structure, human serum albumin/DNA binding and anticancer mechanism

K Hu, F Li, Z Zhang, F Liang - New Journal of Chemistry, 2017 - pubs.rsc.org
Two hydrazone ligands 8-quinolinecarbaldehyde 3-methoxybenzoylhydrazone (L1) and 8-
quinolinecarbaldehyde benzoylhydrazone (L2) and the corresponding mononuclear copper …

A chemical genomics approach to drug reprofiling in oncology: Antipsychotic drug risperidone as a potential adenocarcinoma treatment

SJ Dilly, AJ Clark, A Marsh, DA Mitchell, R Cain… - Cancer letters, 2017 - Elsevier
Drug reprofiling is emerging as an effective paradigm for discovery of cancer treatments.
Herein, an antipsychotic drug is immobilised using the Magic Tag® chemical genomics tool …

Characterization, molecular docking, dynamics simulation and metadynamics of kisspeptin receptor with kisspeptin

MA Rather, SH Basha, IA Bhat, N Sharma… - International journal of …, 2017 - Elsevier
We report molecular characterization of the kisspeptin receptor (kiss1r), an essential
gatekeeper for reproduction and onset of puberty in vertebrates. The full-length cDNA …

Design, multicomponent synthesis, and anticancer activity of a focused histone deacetylase (HDAC) inhibitor library with peptoid-based cap groups

V Krieger, A Hamacher, CGW Gertzen… - Journal of medicinal …, 2017 - ACS Publications
In this work, we report the multicomponent synthesis of a focused histone deacetylase
(HDAC) inhibitor library with peptoid-based cap groups and different zinc-binding groups. All …

Solubility profiles, hydration and desolvation of curcumin complexed with γ-cyclodextrin and hydroxypropyl-γ-cyclodextrin

S Shityakov, RE Salmas, S Durdagi, N Roewer… - Journal of Molecular …, 2017 - Elsevier
In this study, we investigated curcumin (CUR) solubility profiles and hydration/desolvation
effects of this substance formulated with γ-cyclodextrin (γ-CD) and hydroxypropyl-γ …

Identification of compounds with cytotoxic activity from the leaf of the Nigerian medicinal plant, Anacardium occidentale L.(Anacardiaceae)

BJ Taiwo, AA Fatokun, OO Olubiyi… - Bioorganic & Medicinal …, 2017 - Elsevier
Cancer is now the second-leading cause of mortality and morbidity, behind only heart
disease, necessitating urgent development of (chemo) therapeutic interventions to stem the …

Nitro-substituted tetrahydroindolizines and homologs: Design, kinetics, and mechanism of α-glucosidase inhibition

C Tavani, L Bianchi, A De Palma, GI Passeri… - Bioorganic & medicinal …, 2017 - Elsevier
Abstract A series of 1-[(methylsulfonyl) methyl]-2-nitro-5, 6, 7, 8-tetrahydroindolizines and
homologs were designed, prepared, and evaluated as non-sugar-type α-glucosidase …

Computational chemistry and molecular modelling basics

The use of computers for predicting the structures and properties of biomolecules has
closely paralleled computer development since the 1950s, and has been one of the core …