In Silico Evaluation of Antifungal Compounds from Marine Sponges against COVID-19-Associated Mucormycosis

The world is already facing the devastating effects of the SARS-CoV-2 pandemic. A disseminated mucormycosis epidemic emerged to worsen this situation, causing havoc, especially in India. This research aimed to perform a multitargeted docking study of marine-sponge-origin bio-active compounds against mucormycosis. Information on proven drug targets and marine sponge compounds was obtained via a literature search. A total of seven different targets were selected. Thirty-five compounds were chosen using the PASS online program. For homology modeling and molecular docking, FASTA sequences and 3D structures for protein targets were retrieved from NCBI and PDB databases. Autodock Vina in PyRx 0.8 was used for docking studies. Further, molecular dynamics simulations were performed using the IMODS server for top-ranked docked complexes. Moreover, the drug-like properties and toxicity analyses were performed using Lipinski parameters in Swiss-ADME, OSIRIS, ProTox-II, pkCSM, and StopTox servers. The results indicated that naamine D, latrunculin A and S, (+)-curcudiol, (+)-curcuphenol, aurantoside I, and hyrtimomine A had the highest binding affinity values of −8.8, −8.6, −9.8, −11.4, −8.0, −11.4, and −9.0 kcal/mol, respectively. In sum, all MNPs included in this study are good candidates against mucormycosis. (+)-curcudiol and (+)-curcuphenol are promising compounds due to their broad-spectrum target inhibition potential. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.Ministry of Education and Science of the Russian Federation, Minobrnauka: 075-15-2020-777Funding: This work was supported by the Ministry of Science and Higher Education of the Russian Federation (Grant no.: 075-15-2020-777)

SARS-COV-2 AND MUCORMYCOSIS: IN SILICO EXPLORATION OF MARINE NATURAL PRODUCTS AS POTENT PROTEIN TARGET INHIBITORS

This work was supported by the Ministry of Science and Higher Education of RF (Ref. #075-15-2022-1118, dated 29/06/2022

Osmo-air drying of aloe vera gel cubes

Aloe vera (Aloe barbadensis Miller) cubes of 12.5 × 12.5 × 12.5 mm thick were osmosed for 4 h in sugar syrup of 30, 40 and 50°Brix concentration and temperatures of 30 and 50°C at constant syrup to fruit ratio of 5:1. Osmosed and unosmosed aloe vera samples were hot air dried at 50, 60, 70 and 80°C with constant air velocity of 1.5 m/s. The water loss, solid gain and convective drying behaviour were recorded during experiments. It was observed that water loss and solid gain ranged from 39.2 to 71.3 and 2.7 to 6.3%, respectively during osmo-drying. The moisture diffusivity varied from 2.9 to 8.0 × 10−9 m²/s and 2.7 to 4.6 × 10−9 m²/s during air drying of osmosed and unosmosed aloe vera samples, respectively. Drying air temperature and osmosis as pre-treatment affected the water loss, solid gain, diffusivity at −p ≤ 0.0

SLN and NLC for topical, dermal, and transdermal drug delivery

Introduction: From a biopharmaceutical standpoint, the skin is recognized as an interesting route for drug delivery. In general, small molecules are able to penetrate the stratum corneum, the outermost layer of the skin. In contrast, the delivery of larger molecules, such as peptides and proteins, remains a challenge. Nanoparticles have been exploited not only to enhance skin penetration of drugs but also to expand the range of molecules to be clinically used.Areas covered: This review focus on Solid lipid nanoparticles (SLN) and Nanostructured lipid carriers (NLC) for skin administration. We discuss the selection criteria for lipids, surfactants, and surface modifiers commonly in use in SLN/NLC, their production techniques, and the range of drugs loaded in these lipid nanoparticles for the treatment of skin disorders.Expert opinion: Depending on the lipid and surfactant composition, different nanoparticle morphologies can be generated. Both SLN and NLC are composed of lipids that resemble those of the skin and sebum, which contribute to their enhanced biocompatibility, with limited toxicological risk. SLN and NLC can be loaded with very chemically different drugs, may provide a tunable release profile, can be produced in a sterilized environment, and be scaled-up without the need for organic solvents.The authors acknowledge CAPES (Coordenação de Aperfeiçoamento de Pessoal de Nível Superior) for the financial support and for the fellowship of the second author (88887.368385/2019-00). Authors also acknowledge the support received from the Portuguese Science and Technology Foundation, Ministry of Science and Education (FCT/MEC) through national funds, and co-financed by FEDER, under the Partnership Agreement PT2020, for the projects M-ERA-NET-0004/2015-PAIRED and UIDB/04469/2020 (strategic fund).info:eu-repo/semantics/publishedVersio