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1.
Int J Burns Trauma ; 13(1): 1-7, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-36935879

RESUMEN

Necrotizing fasciitis (NF) is a severe soft tissue infection caused by bacterial fascia invasion and quick spreading to the muscle and subcutaneous tissues. Treatments of NF should be conducted by extensive debridement and antibiotic therapies. This report presented a 53-year-old woman with diabetes mellitus (DM) and hypothyroid who was referred to our medical center with lower limb pain and significant swelling after mild trauma. The patient was diagnosed with NF due to E. coli. She underwent surgical interventions for debridement and long-term antibiotic therapy. The patient recovered successfully without complications or range of motion (ROM) restriction in the hip and knee. It is recommended that immediate actions be taken in NF cases to preserve the remaining tissues and provide better outcomes.

2.
RSC Adv ; 11(38): 23815-23824, 2021 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-35479793

RESUMEN

Entrance of coronavirus into cells happens through the spike proteins on the virus surface, for which the spike protein should be cleaved into S1 and S2 domains. This cleavage is mediated by furin, a member of the proprotein convertases family, which can specifically cleave Arg-X-X-Arg↓ sites of the substrates. Here, folate (folic acid), a water-soluble B vitamin, is introduced for the inhibition of furin activity. Therefore, molecular insight into the prevention of furin activity in the presence of folic acid derivatives is presented. To this aim, molecular docking, molecular dynamics (MD) simulations, and binding free energy calculations were performed to clarify the inhibitory mechanism of these compounds. In this regard, molecular docking studies were conducted to probe the furin binding sites of folic acid derivatives. The MD simulation results indicated that these drugs can efficiently bind to the furin active site. While the folic acid molecule tended to be positioned slightly towards the Glu271, Tyr313, Ala532, Gln488, and Asp530 amino acids of furin at short and long ranges, the folinic acid molecule interacted with Glu271, Ser311, Arg490, Gln488, and Lys499 amino acids. Consequently, binding free energy calculations illustrated that folic acid (-27.90 kcal mol-1) has better binding in comparison with folinic acid (-12.84 kcal mol-1).

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