Structure-Based Virtual Screening: Identification of Novel Quorum-Sensing Inhibitors to Interfere with the Formation of Pseudomonas aeruginosa Biofilm

Abstract

Introduction: Primary malignant melanoma of the oral cavity is a rare occurrence. This tumor, compared to other malignant tumors of the oral cavity, has higher tendency to metastasize or locally invade the adjacent structures. Its most common site of occurrence in the oral cavity is the palate followed by the maxillary gingiva. Oral melanoma does not have a pathognomonic clinical manifestation and in rare cases, it may not even cause clinical discoloration of the mucosa either; in this case, it is referred to as amelanotic melanoma. Most cases of amelanotic melanomas are metastatic rather than primary tumors. The Survival rate of patients with mucosal melanoma is lower than that of patients with cutaneous melanoma. Prognosis is much poorer for amelanotic melanoma due to difficult and delayed diagnosis compared to cutaneous melanoma. Case Presentation: In this study, a 33-year-old white male presented to the oral medicine department of Shahed University, school of dentistry, complaining of an extensive pink-redexophytic mass on the attached gingiva of the maxillary right central incisor extending posteriorly to the maxillary right first molar. He had it for the past five months. The patient had no systemic disease and the panoramic radiograph of the patient showed no pathological lesion.

Dynamic pigmentary and structural coloration within cephalopod chromatophore organs

“…Comparable differences have been reported in other protein systems to establish significance in binding energetics. For example, a calculated binding energy difference of 0.7 kcal mol −1 has been used to distinguish whether minocycline bound to the extrusion or binding protomers of the AcrB protein 48 , while differences ranging from 0.5 to 2.0 kcal mol −1 have been reported for other virtual screened ligand-binding complexes to establish significance 49–52 . To further support the significance of our calculated binding energy differences, we performed additional docking calculations on both Ω-crystallin and reflectin using a range of small, aromatic derivatives of Xa, including kynurenine, xanthopterin, xanthurenic acid, cyanidin, tryptophan, and phenoxazine (Table S9).…”

Virtual Screening of Potential Quorum Sensing Inhibitors of P. aeruginosa

“…The bacterium is recognized for its intrinsically advanced anti-microbial resistance mechanisms resulting in serious consequences of infections in hospitalized patients, especially those with immuno-compromised and ventilator-associated pneumonia. 1 P. aeruginosa exhibits variety of virulence factors and its expression is dependent on the quorum sensing mechanism which involves cell to cell communication. Quorum sensing (QS) in P. aeruginosa plays a crucial role in spreading of infections via regulation of biofilm formation, secretion of variety of virulent factors and exchange of genetic material (DNA).…”