Synthesis, crystal structure, spectroscopic and computational investigations of the newly synthesized Schiff bases scaffold as enzyme inhibitor.

The current project was planned to access the enzyme inhibition potential of the synthesize imines; (E)-2-(2-hydroxy-4,5-dimethoxybenzylideneamino)benzonitrile 1 and (E)-2-(((3-hydroxy-4-methylphenyl)imino)methyl)-4-methoxyphenol 2 by the reported protocol of our continuous research and also assess their theoretical function in term of in silico action. The structural characterization of imines was done through advanced techniques i.e., FTIR, 1H NMR, 13C NMR, and UV spectroscopy. Moreover, a single X-Ray diffraction technique (SCXRD) was employed for real structural identification of imines dimensions, which revealed that compound 1 has a triclinic crystal system although 2 has a monoclinic one. A 2D fingerprint plot and Hirshfeld surface analysis (HS) was employed in the crystalline assembly of compounds to check intermolecular contacts and also their degree of contributions. Both compounds were optimized by B3LYP functional mode using a certain basis set (6-31G). The practical data (XRD) and theoretical data (DFT) of both molecules were compared and found between a sound coherence. Molecular docking studies in term of in silico assessment were conducted against enzymes of the esterase and alpha-glucosidase family. The docking outputs give a forecast about compounds that could be employed as protein inhibitors against analyzed protein surfaces.

Functional limitations due to foot involvement in spondyloarthritis.

[Purpose] Spondyloarthritis is a major inflammatory disease followed-up in the rheumatology clinics, foot involvement in spodyloarthritis is common. The functional states of patients with spondyloarthritis are usually evaluated globally. The aim of this study was to assess the foot involvement-related functional limitations in patients with spondyloarthritis. [Subjects and Methods] Patients with ankylosing spondylitis and psoriatic arthritis with foot pain more than 4 weeks who underwent anteroposterior and lateral feet radiography were enrolled into the study. A "clinical findings score" was calculated by assigning 1 point for every finding of swelling, redness, and tenderness. C-reactive protein and erythrocyte sedimentation rate were used as serum markers for disease activity. Foot radiograms were evaluated using the spondyloarthropathy tarsal radiographic index and the foot-related functional state of patients was determined by the Turkish version of the Foot and Ankle Outcome Score. [Results] There were no relationships between Foot and Ankle Outcome Score subscales and clinical findings score, serum markers, or radiologic score. Pain and symptoms subscale scores were result positively correlated with activity of daily living, sport and recreation, and quality of life subscale scores. [Conclusion] Pain and symptoms are the main determinants of foot-related functional limitations in spondyloarthritis.

Coexistence of osteopoikilosis with seronegative spondyloarthritis and spinal stenosis.

[Purpose] Osteopoikilosis is a rare hereditary bone disease that is usually asymptomatic. It is generally diagnosed incidentally on plain radiography. The coexistence of osteopoikilosis with seronegative spondyloarthritis or spinal stenosis is rarely reported. Here, we report the case of a 27-year-old male patient with osteopoikilosis, seronegative spondyloarthritis, and spinal stenosis. [Subject] A 27-year-old male patient with buttock pain and back pain radiating to the legs. [Methods] A plain anteroposterior radiograph of the pelvis revealed numerous round and oval sclerotic bone areas of varying size. Investigation of the knee joints showed similar findings, and the patient was diagnosed with osteopoikilosis. Lumbar magnetic resonance images showed spinal stenosis and degenerative changes in his lumbar facet joints. Magnetic resonance images of the sacroiliac joints showed bilateral involvement with narrowing of both sacroiliac joints, nodular multiple sclerotic foci, and contrast enhancement in both joint spaces and periarticular areas. HLA B-27 test was negative. [Results] The patient was diagnosed with osteopoikilosis, seronegative spondyloarthritis, and spinal stenosis. Treatment included asemetasin twice daily and exercise therapy. [Conclusion] Symptomatic patients with osteopoikilosis should be investigated for other possible coexisting medical conditions; this will shorten the times to diagnosis and treatment.