Virtually screened novel sulfathiazole derivatives as a potential drug candidate for methicillin-resistant Staphylococcus aureus and multidrug-resistant tuberculosis.

Methicillin-resistant Staphylococcus aureus (MRSA) and multidrug-resistant tuberculosis (MDR-TB) is a leading cause of severe hospital and infection-related morbidity and mortality in the general population. There is a critical need for dynamic, powerful medication candidates to combat MRSA and MDR-TB infections in this specific setting. As a result, the current research focuses on the development of novel sulfathiazole derivative compounds that could be used as anti-MRSA and anti-MDR-TB agents. Virtual screening approaches were used to identify the potential lead sulfathiazole derivatives with the help of BIOVIA Discovery Studio 2017 software. In this in silico study, 10 novel sulfathiazole derivatives were virtually screened from 74 designed compounds. These 10 compounds had the best predictive docking scores in MRSA and MDR-TB receptors and were then put through a molecular dynamics simulation to explain protein stability, ligand characteristics and protein-ligand interactions. The Lipinski rule and ADMET prediction results also suggested that 11 compounds (mol-12, mol-22, mol-23, mol-28, mol-30, mol-32, mol-34, mol-35, mol-45 and mol-47) have strong drug similarity features. Our findings imply that the 10 novel sulfathiazole compounds studied could be viable new therapeutic leads for MRSA and MDR-TB.

Communicated by Ramaswamy H. Sarma.

Lefamulin: a New Hope in the Field of Community-Acquired Bacterial Pneumonia.

Purpose of Review: Community-acquired bacterial pneumonia (CABP) continues to be a worldwide health concern since it is the major cause of mortality and hospitalisation worldwide. Increased macrolide resistance among Streptococcus pneumoniae and other infections has resulted in a significantly larger illness burden, which has been exacerbated by evolving demography and a higher prevalence of comorbid disorders. Owing to such circumstances, the creation of new antibiotic classes is critical. Recent Findings: Lefamulin, also referred to as BC-3781, is the primary pleuromutilin antibiotic which has been permitted for both intravenous and oral use in humans for the remedy of bacterial infections. It has shown activity against gram-positive bacteria including methicillin-resistant strains as well as atypical organisms which as often implicated in CABP. It has a completely unique mechanism of action that inhibits protein synthesis via way of means of stopping the binding of tRNA for peptide transfer. The C(14) side chain is responsible for its pharmacodynamic and antimicrobial properties, together with supporting in overcoming bacterial ribosomal resistance and mutations improvement amplifying the number of hydrogen bonds to the target site. Summary: This review aims to highlight the pre-existing treatment options and specific purposes to shed some light upon the development of a new drug lefamulin and its specifications and explore this novel drug's superior efficacy to already existing treatment strategies.

Current Progress on the Genomics of Schistosomiasis for Drug Discovery and Diagnostics.

For a number of decades, schistosomiasis has remained a public threat and an economic burden in a number of countries, directly impacting over 200 million people. The past 15 years have seen tremendous progress in the development of high-throughput methods for targeting or compound selection that are vital to early-stage schistosome drug discovery research. Genomewide approaches to analyze gene expression at the transcriptional and other -omic levels have helped immensely for gaining insight into the pathways and mechanisms involved in the schistosomiasis and it is expected to revolutionize the drug discovery as well as related diagnostics. This review discusses the most recent progress of pharmacology and genomics concerning schistosomiasis with a focus on drug discovery and diagnostic tools. It also provides chemical structural insights of promising targets along with available in vitro and/or in vivo data. Although significant research has been done to identify new molecules for the treatment and new methods for diagnosis, the necessity of new options for the sustainable control of schistosomiasis remains a great challenge.