Marbofloxacin

In the title compound, [systematic name: 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl­piperazin-1-yl)-7-oxo-7H-pyrido[1,2,3-ij][1,2,4]benzoxadiazine-6-carb­oxy­lic acid], C17H19FN4O4, the carbonyl and carboxyl groups are coplanar with the quinoline ring, making a dihedral angle of 2.39 (2)°. The piperazine ring adopts a chair conformation and the oxadiazinane ring displays an envelope conformation with the CH2 group at the flap displaced by 0.650 (2) Å from the plane through the other five atoms. The mol­ecular structure exhibits an S(6) ring motif, owing to an intra­molecular O—H⋯O hydrogen bond. In the crystal, weak C—H⋯F hydrogen bonds link mol­ecules into layers parallel to the ab plane

Quetiapine N-oxide–fumaric acid (2/1)

The title compound (systematic name: 2-{2-[4-(dibenzo[b,f][1,4]thia­zepin-11-yl)piperazin-1-yl 1-oxide]eth­oxy}ethanol–fumaric acid (2/1)), C21H25N3O3S·0.5C4H4O4, is one of the oxidation products of quetiapine hemifumaric acid. In the tricyclic fragment, the central thia­zepine ring displays a boat conformation and the benzene rings are inclined to each other at a dihedral angle of 72.0 (2)°. The piperazine ring adopts a chair conformation with its eth­oxy­ethanol side chain oriented equatorially. In addition to the main mol­ecule, the asymmetric unit contains one-half mol­ecule of fumaric acid, the complete mol­ecule being generated by inversion symmetry. In the crystal, O—H⋯O hydrogen bonds link the components into corrugated layers parallel to bc plane

Investigation of Interactions between Thrombin and Ten Phenolic Compounds by Affinity Capillary Electrophoresis and Molecular Docking

Thrombin plays a vital role in blood coagulation, which is a key process involved in thrombosis by promoting platelet aggregation and converting fibrinogen to form the fibrin clot. In the receptor concept, drugs produce their therapeutic effects via interactions with the targets. Therefore, investigation of interaction between thrombin and small molecules is important to find out the potential thrombin inhibitor. In this study, affinity capillary electrophoresis (ACE) and in silico molecular docking methods were developed to study the interaction between thrombin and ten phenolic compounds (p-hydroxybenzoic acid, protocatechuic acid, vanillic acid, gallic acid, catechin, epicatechin, dihydroquercetin, naringenin, apigenin, and baicalein). The ACE results showed that gallic acids and six flavonoid compounds had relative strong interactions with thrombin. In addition, the docking results indicated that all of optimal conformations of the six flavonoid compounds were positioned into the thrombin activity centre and had interaction with the HIS57 or SER195 which was the key residue to bind thrombin inhibitors such as argatroban. Herein, these six flavonoid compounds might have the potential of thrombin inhibition activity. In addition, the developed method in this study can be further applied to study the interactions of other molecules with thrombin

Study on the relationship of acute ketosis intoxication and type 2 diabetes mellitus

AbstractObjectiveTo study the change of serum C-reactive protein (CRP) levels and its correlation with ketosis in type 2 diabetes mellitus patients with acute ketosis intoxication.MethodsA retrospective analysis was conducted for the patients with type 2 diabetes mellitus from August 2015 to January 2016. The patients combined with ketosis were included into diabetic ketosis group and the patients without ketosis were included into negative control group. The clinical data were collected from two groups including general data, blood pressure, liver function and the levels of blood fat, glycosylated hemoglobin, blood ketone, β-hydroxybutyric acid and CRP. The discrepancy of clinical data between two groups was analyzed.ResultsThe levels of glycosylated hemoglobin [(11.6 ± 2.1)% vs. (8.3 ± 1.9)%], blood ketone [0.65 (0.3, 1.75) vs. 0.1 (0.1, 0.2) mmol/L], β-hydroxybutyric acid [0.595 (0.303, 1.775) vs. 0.08 (0.06, 0.15) mmol/L] and CRP [0.595 (0.303, 1.775) vs. 0.08 (0.06, 0.15) mmol/L] were significant higher than those of negative control group, while the levels of blood pressure, blood fat and aminopherase had no significant difference. The serum CRP levels showed positive correlation with blood ketone and β-hydroxybutyric acid (r = 0.490 and r = 0.478, respectively).ConclusionsPoor blood glucose control for a long time and strengthening inflammatory response are correlated with the status of acute ketosis in type 2 diabetes mellitus patients. The CRP levels in ketosis patients were significantly elevated and could be used to evaluate the degree of ketosis

Febuxostat methanol solvate

In the title compound {systematic name: [2-(3-cyano-4-isobutyl­oxyphen­yl)-4-methyl-1,3-thia­zole-5-carb­oxy­lic acid (febuxostat) methanol monosolvate}, C16H16N2O3S·CH4O, the benzene and thia­zole rings in the febuxostat mol­ecule are twisted at 5.3 (1)°. In the crystal structure, inter­molecular O—H⋯O and O—H⋯N hydrogen bonds link the febuxostat and methanol mol­ecules into helical chains along the 21 screw axis

Moxifloxacinium chloride monohydrate

The title compound {systematic name: 7-[(1S,6S)-8-aza-2-azonia­bicyclo­[4.3.0]non-8-yl]-1-cyclo­propyl-6-fluoro-8-meth­oxy-4-oxo-1,4-dihydro­quinoline-3-carb­oxy­lic acid chloride monohydrate}, C21H25FN3O4 +·Cl−·H2O, crystallizes with two moxi­floxa­cinium cations, two chloride ions and two uncoordinated water mol­ecules in the unit cell. The crystal structure has a pseudo-inversion center except for the chloride ions. In both moxi­floxa­cinium cations, the quinoline rings are approximately planar, the maximum atomic deviations being 0.107 (3) and 0.118 (3) Å. The piperidine rings adopt a chair conformation while the pyrrolidine rings display a half-chair conformation. In the crystal, the carboxyl groups, the protonated piperidyl groups, the uncoordinated water mol­ecule and chloride anions participate in O—H⋯O, O—H⋯Cl and N—H⋯Cl hydrogen bonding; weak inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonding is also present in the crystal structure

Eprosartan mesylate, an angiotensin II receptor antagonist

The title compound, eprosartan mesylate {systematic name: 2-butyl-1-(4-carb­oxy­benz­yl)-5-[(E)-2-carb­oxy-3-(thio­phen-2-yl)prop-1-en­yl]-1H-imidazol-3-ium methane­sulfonate}, C23H25N2O4S+·CH3O3S−, one of the angiotensin II-receptor antagonists, is effective in regulating hypertension, induced or exacerbated by angiotensin II, and in the treatment of congestive heart failure, renal failure and glaucoma. In the eprosartan residue, which appears in this crystal in the cationic imidazolium form, the benzene ring plane is almost orthogonal to that of the imidazole ring, making a dihedral angle of 87.89 (2)°. The thio­phene ring forms dihedral angles of 66.54 (2) and 67.12 (2)° with the benzene and imidazole rings, respectively. The imidazolium NH group and the H atom of the aromatic carboxyl group participate in hydrogen bonds with the the O atoms of the anion, thus forming centrosymmetric aggregates made up of two cations and two anions each. The second carboxyl group further links the above-mentioned aggregates through a conventional centrosymmetric hydrogen-bonding motif into infinite chains along [011]

Anti-proliferation effects of Sirolimus sustained delivery film in rabbit glaucoma filtration surgery

Purpose: To investigate the efficacy, safety, and mechanisms of Sirolimus sustained delivery film on prevention of scar formation in a rabbit model of glaucoma filtration surgery. Methods: Sixty-four New Zealand white rabbits who underwent trabeculectomy in the right eye were randomly allocated to one of the four treatment regimens: Sirolimus sustained delivery film treatment group (Group A), or drug-free film treatment group (Group B), or 30 ng/ml Sirolimus-soaked sponge treatment group (Group C), or no adjunctive treatment group (Group D), and each group consists of 16 rabbits. Intraocular pressure (IOP), morphologic changes of bleb, anterior chamber flare, and corneal endothelial cell count and complications were evaluated over a 28-day period follow-up time. Aqueous humor samples were gathered from Group A, and the concentration of Sirolimus was measured regularly post-operation. Rabbits were sacrificed on the 7th, 14th, and 28th day post-operation separately, and the fibroblast hypertrophy, infiltration of inflammatory, and proliferation of new collagen fiber formation in each group were evaluated with HE and Masson staining. Proliferative cell nuclear antigen (PCNA) and fibroblast apoptosis were evaluated by immunohistochemistry and terminal deoxynucleotidyl transferasemediated dUTP nick end labeling (TUNEL) assay at the 28th day post-operation. Results: Both Sirolimus sustained delivery film (Group A) and Sirolimus alone (Group C) were well tolerated in this model, and significantly prolonged bleb survival compared with no drug treatment group (Group B and D; p<0.001). Group A had the longest bleb survival time in comparison with other groups (p<0.001). There were significant differences in IOP readings between Group A and other groups at the last follow-up (p<0.05). The concentration of Group A maintained stable for over 2 weeks, drops from (10.56 +/- 0.05) ng/ml at day 3 to (7.74 +/- 0.05) ng/ml at day 14. The number of corneal endothelial cells of Group A was not statistically significant between pre and post-operation. Histologic examination demonstrated that eyes treated with Sirolimus, especially the Sirolimus sustained delivery film, showed an obvious reduction in subconjunctival fibroblast scar tissue formation compared with no drug treatment groups, and had minimal evidence of inflammatory cell infiltration and new collagen deposition in the subconjunctiva. Immunohistochemistry assay showed that PCNA-expression was lower in the Group A (16.25 +/- 3.24%) compared to other groups (p<0.01). TUNEL assay showed a significant increase in the number of apoptotic fibroblasts around the surgical area in Group A and Group C (9.75 +/- 1.71% and 8.50 +/- 1.92%) compared to the Group B and D (p<0.01). Conclusions: Sirolimus drug sustained delivery film can inhibit inflammatory cell activity, impede fibroblast proliferation activity, and induce fibroblast apoptosis in the filtration surgery sites in rabbit. The results indicate a safe and effective treatment strategy in anti-scaring treatment in glaucoma surgery.http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000295289900001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701Biochemistry & Molecular BiologyOphthalmologySCI(E)9ARTICLE270-712495-25061