The feasibility and value of 207Pb solid-state NMR experiments on compounds featuring lead tetrel bonds is explored. Although the definition remains to be formalized, lead tetrel bonds may be qualitatively described as existing when there is evidence of a net attractive interaction between an electrophilic region associated with lead in a molecular entity and a nucleophilic region in another, o...

UNLABELLED New drugs are urgently needed for improved therapy for melanoma. MATERIALS AND METHODS Ninety-one novel compounds were evaluated in two melanoma and one normal skin cell lines to identify potential lead compounds with high potency and selectivity. Mechanisms of action for the best compound were also investigated. RESULTS Three potent lead structures (serine amino alcohols, serine...

a major group of drugs that have been approved for the therapy of systemic fungal infections are polyene antibiotics. amphotericin b (amb), one of the polyene antibiotics, has been used to treat serious systemic fungal infections by binding to sterols such as ergosterol in fungal cells membrane, and is believed to form pores in the membrane and create a transmembrane ion-channel. since all euka...

Montelukast and Zafirlukast are known leukotriene receptor antagonists prescribed in asthma treatment. However, these fall short as mono therapy and are frequently used in combination with inhaled glucocorticosteroids with or without long acting beta 2 agonists. Therefore, it is of interest to apply ligand and structure based virtual screening strategies to identify compounds akin to lead compo...

Organometallic compounds are widely used in almost all sectors of industry. as a result of emissions from natural and anthropogenic sources they are released to the environment, where they undergo a variety of conversions and interactions. some organometallic compounds exhibit high toxicity. organometallic compounds of mercury, tin, lead, selenium and arsenic are among the most common and hazar...

The comprehensive information of small molecules and their biological activities in the PubChem database allows chemoinformatic researchers to access and make use of large-scale biological activity data to improve the precision of drug profiling. A Quantitative Structure-Activity Relationship approach, for classification, was used for the prediction of active/inactive compounds relatively to ov...