Pharmaceutical interest of in-silico approaches

The virtual environment within the computer using software performed on the computer is known as in-silico studies. These drugs designing software play a vital task in discovering new drugs in the field of pharmaceuticals. These designing programs and software are employed in gene sequencing, molecular modeling, and in assessing the three-dimensional structure of the molecule, which can further be used in drug designing and development. Drug development and discovery is not only a powerful, extensive, and an interdisciplinary system but also a very complex and time-consuming method. This book chapter mainly focused on different types of in-silico approaches along with their pharmaceutical applications in numerous diseases.

Two decades of recent advances of Passerini reactions: synthetic and potential pharmaceutical applications

This perspective describes the applications of Passerini reactions in the last two decades from 2000 to 2021 in pharmaceutical applications and synthesis of peptides, natural products, macrocycles, dendrimers, and versatile types of heterocycles.

Structural study of anhydrous and hydrated 5-fluorouracil co-crystals with nicotinamide and isonicotinamide

5-Fluorouracil is a widely used anti-cancer drug which exhibits diverse polymorphic and co-crystalline behavior. Here we report two new solvent-free co-crystals of 5-fluorouracil with model co-formers nicotinamide and isonicotinamide, along with the redetermination of their hydrated analogues. Selected co-formers are categorized as safe and therefore suitable for pharmaceutical applications. Differences and similarities in supramolecular topology of the given structures are discussed. A special emphasis is set on the influence of fluorine moieties on the overall packing and synthetic accessibility of the presented multi-component systems.

The Natural Products and Pharmacological Biodiversity of Brown Algae from the Genus Dictyopteris

Genus Dictyopteris is an important genus among marine seaweeds and is excessively distributed and known by its ocean smell due to its secondary metabolites including C11-hydrocarbons and sulfur compounds. This chemical feature is responsible for its interesting biological properties. This review detected the literature from 1959 to 2021 on the genus Dictyopteris and revealed the secondary metabolites, together with biological activities of the genus Dictyopteris to create the base for additional studies on its clinical and pharmaceutical applications. Resumen. El género Dictyopteris es un género importante entre las algas marinas y está excesivamente distribuido y conocido por su olor a océano debido a sus metabolitos secundarios que incluyen hidrocarburos C11 y compuestos de azufre. Esta característica química es responsable de sus interesantes propiedades biológicas. Esta revisión detectó la literatura de 1959 a 2021 sobre el género Dictyopteris y reveló los metabolitos secundarios, junto con las actividades biológicas del género Dictyopteris, para crear la base para estudios adicionales sobre sus aplicaciones clínicas y farmacéuticas.

Composite Nanocellulose Fibers-Based Hydrogels Loading Clindamycin HCl with Ca2+ and Citric Acid as Crosslinking Agents for Pharmaceutical Applications

Biocomposite hydrogels based on nanocellulose fibers (CNFs), low methoxy pectin (LMP), and sodium alginate (SA) were fabricated via the chemical crosslinking technique. The selected CNFs-based hydrogels were loaded with clindamycin hydrochloride (CM), an effective antibiotic as a model drug. The properties of the selected CNFs-based hydrogels loaded CM were characterized. The results showed that CNFs-based hydrogels composed of CNFs/LMP/SA at 1:1:1 and 2:0.5:0.5 mass ratios exhibited high drug content, suitable gel content, and high maximum swelling degree. In vitro assessment of cell viability revealed that the CM-incorporated composite CNFs-based hydrogels using calcium ion and citric acid as crosslinking agents exhibited high cytocompatibility with human keratinocytes cells. In vitro drug release experiment showed the prolonged release of CM and the hydrogel which has a greater CNFs portion (C2P0.5A0.5/Ca + Ci/CM) demonstrated lower drug release than the hydrogel having a lesser CNFs portion (C1P1A1/Ca + Ci/CM). The proportion of hydrophilic materials which were low methoxy pectin and sodium alginate in the matrix system influences drug release. In conclusion, biocomposite CNFs-based hydrogels composed of CNFs/LMP/SA at 1:1:1 and 2:0.5:0.5 mass ratios, loading CM with calcium ion and citric acid as crosslinking agents were successfully developed for the first time, suggesting their potential for pharmaceutical applications, such as a drug delivery system for healing infected wounds.