1.Virtual Screening of a Series of Phytocompounds from Polygonum cuspidatum for Identification of Potential Antibacterial Drug Candidates: an In-silico and Drug Design Approaches
Sultan Mehtap BÜYÜKER ; Syed Babar JAMAL ; Sumra Wajid ABBASI ; Muhammad FAHEEM ; Shah JAHAN
Natural Product Sciences 2024;30(2):148-160
In recent times, the emergence of Clostridium perfringens has posed a significant challenge to public health due to its antibiotic resistance and the formation of biofilms. It is the neuraminidase enzyme that supplies toxin secretion from C. perfringens. Since the sialic acid bond is a target recognition point for bacteria, new molecules are needed to treat infections caused by dangerous pathogens such as C. perfringens.The present work focused on an alternative strategy using compounds from Polygonum cuspidatum Sieb. et Zucc. Nine bioactive compounds derived from this plant emodin, physcion, emodin-1-O-β-D-glucopyranoside, emodin-8-O-β-D-glucopyranoside, physcion-8-O-β-D-glucopyranoside, 2-methoxy-6-acetyl-7-methyl juglone, torachrysone-8-O-β-D-glucoside, polydatin and resveratrol were used as ligands and coupled. The neuraminidase enzyme from C. perfringens was chosen as the target protein. The optimal ligand insertion score and ADMET parameters were determined by employing the Lipinski rules as selection criteria. Emodin-8-O-β-D-glucopyranoside and physcion-8-O-β-D-glucopyranoside exhibited drug-like characteristics in their ability to inhibit neuraminidase, as evidenced by a chelation score of −11.9. A comparison was conducted between emodin-8-O-β-D-glucopyranoside and physcion-8-O-β-D-glucopyranoside, and the positive control quercetin.A comprehensive analysis of the drug-like properties of emodin-8-O-β-D-glucopyranoside and physcion-8-O-β-D-glucopyranoside revealed that exhibited superiority over quercetin across multiple aspects. Quercetin showed a binding affinity of −9.9, while emodin-8-O-β-D-glucopyranoside and physcion-8-O-β-D-glucopyranoside showed a binding affinity of −11.9. The results showed acceptable differential kinetic properties of emodin-8-O-β-D-glucopyranoside and physcion-8-O-β-D-glucopyranoside compared to quercetin. It has been shown to inhibit the neuraminidase enzyme from C. perfringens.
2.‘Ponytail’ artefact on Waters radiography
Leman Tekin Orgun ; Betü ; l Emine Derinkuyu ; Emin Ç ; akmakç ; ı ; Ç ; iğdem Genç ; Sel ; Deniz Yü ; ksel
Neurology Asia 2018;23(3):287-288
Various factors may lead to artefacts in many radiological examinations that are commonly used in
daily clinical practice.1,2 There are some simple but important rules to obtain high quality X-ray images
and proper diagnosis with the imaging guidance. Artefacts may result in difficulty in interpretation of
images, unnecessary workup and even improper diagnosis.3 Hair artefact that were seen in young girls
and female patients, has been rarely reported to be a problem.4 It has been reported on conventional
radiographs of the skull, neck and even chest radiographs. Hair artefacts may be caused by structural
features or style of hair bounding. In most cases these radiopacities were caused by braids, curls
and, obviously synthetic hair braid extensions. Ponytail style hair artefact on radiography has been
reported very rarely. We report here ponytail hair style artefact seen on paranasal sinus X-ray images
of a young girl. The parents has consented to this report