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Human dihydroorotate dehydrogenase (hDHODH) is a flavin mononucleotide‐dependent enzyme that can limit de novo pyrimidine synthesis, making it a therapeutic target for diseases such as autoimmune disorders and cancer. In this study, using the docking structures of complexes generated by AutoDock Vina, we integrate interaction features and ligand features, and employ support vector regression to develop a target‐specific scoring function for hDHODH (TSSF‐hDHODH). The Pearson correlation coefficient values of TSSF‐hDHODH in the cross‐validation and external validation are 0.86 and 0.74, respectively, both of which are far superior to those of classic scoring function AutoDock Vina and random forest (RF) based generic scoring function RF‐Score. TSSF‐hDHODH is further used for the virtual screening of potential inhibitors in the FDA‐Approved & Pharmacopeia Drug Library. In conjunction with the results from molecular dynamics simulations, crizotinib is identified as a candidate for subsequent structural optimization. This study can be useful for the discovery of hDHODH inhibitors and the development of scoring functions for additional targets. [ABSTRACT FROM AUTHOR]

Dopamine (DA) is a crucial neurotransmitter in the central nervous system (CNS) of human and multicellular animal brains. In this paper, we report for the first time the synthesis of carbon black (C)/phosphotungstic acid (PWA) composites by doping PWA on carbon black nanoparticles by impregnation method. The synthesized materials were characterized using high‐resolution scanning electron microscopy (SEM), X‐ray diffraction spectroscopy (XRD) and Fourier transform infrared spectroscopy (FT‐IR). Glassy carbon electrodes (GCE) modified by C/PWA composites were used to detect dopamine. The electrochemical redox behavior of DA was studied with cyclic voltammetry (CV). Under optimized conditions, DA was detected by differential pulse voltammetry (DPV) and the calibration plot showed linearity (R2=0.9988) over the range of DA concentrations of 10 μM‐600 μM with a detection limit of 0.1 μM. The sensor's capability to detect DA in commercial DA injections in real time has been successfully demonstrated. [ABSTRACT FROM AUTHOR]

Ofloxacin (OFL) has antibacterial and anti‐inflammatory effects on respiratory tract infection, skin soft tissue infection and urogenital tract infection caused by sensitive bacteria. In this study, an electrochemical sensor on account of glassy carbon electrode (GCE) and anthraquinone (AQ)/Vulcan XC‐72 (C) composite was prosperity prepared for the determination of ofloxacin (OFL) drug. The morphology and structure of C/20%AQ composites were characterized by SEM. The electrochemical behavior of OFL on the C/20%AQ/GCE sensor was tested using differential pulse voltammetry (DPV) and cyclic voltammetry (CV). The consequences indicate that the linear response of the sensor to OFL at pH 6.5 in 0.2 M phosphate buffer solution (PBS) was in the scope of 0.1–550.0 μM (R2=0.998) with the limit of detection of 0.01 μM. The prepared C/20%AQ/GCE sensor exhibited good anti‐interference ability and repeatability against OFL. The sensor presents a sensitive, simple and low cost OFL detection method, and has been successfully applied to real samples. [ABSTRACT FROM AUTHOR]