The number of databases of natural products (NPs) has increased substantially. Latin America is extraordinarily rich in biodiversity, enabling the identification of novel NPs, which has encouraged both the development of databases and the implementation of those that are being created or are under development. In a collective effort from several Latin American countries, herein we introduce the first version of the Latin American Natural Products Database (LANaPDB), a public compound collection that gathers the chemical information of NPs contained in diverse databases from this geographical region. The current version of LANaPDB unifies the information from six countries and contains 12,959 chemical structures. The structural classification showed that the most abundant compounds are the terpenoids (63.2%), phenylpropanoids (18%) and alkaloids (11.8%). From the analysis of the distribution of properties of pharmaceutical interest, it was observed that many LANaPDB compounds satisfy some drug-like rules of thumb for physicochemical properties. The concept of the chemical multiverse was employed to generate multiple chemical spaces from two different fingerprints and two dimensionality reduction techniques. Comparing LANaPDB with FDA-approved drugs and the major open-access repository of NPs, COCONUT, it was concluded that the chemical space covered by LANaPDB completely overlaps with COCONUT and, in some regions, with FDA-approved drugs. LANaPDB will be updated, adding more compounds from each database, plus the addition of databases from other Latin American countries.

Pyrolysis as a waste treatment method has gained relevance because it can generate higher value-added products in addition to reducing the environment’s secondary pollution. In this study, the catalytic pyrolysis of waste tires was evaluated using NiTiO₃ and CoTiO₃ ilmenites as catalysts and precursors of metal catalysts with the aim to produce an oil enriched in high-value hydrocarbons, such as benzene, toluene, a xylenes mixture, and products less-reported, such as p-cymene and p-cymenene. The experiments were performed in an analytical pyrolyzer coupled to GC/MS. The effect of the nature of the catalysts on the product distribution was compared with the uncatalyzed reaction. The main products of uncatalyzed pyrolysis were D, L-limonene (~60%), and isoprene (~25%) due to the depolymerization of natural rubber. Meanwhile, Ni-ilmenites-based catalysts favored the formation of target compounds to expense D, L-limonene. Moreover, the presence of metal in reduced-ilmenite sharply enhanced the selectivity by ~50% concerning oxidized ilmenite and above 80% compared to the uncatalyzed reaction for p-cymene and p-cymenene. By contrast, the Co-ilmenites-based catalysts showed a marginal effect on secondary reactions. Finally, the feasibility of forming the aromatic terpenes, p-cymene, and p-cymenene from limonene in the non-catalytic pyrolysis was evaluated.

The title compound, C₁₀H₆N₂O₄, belongs to a series of N-arylmaleimides, which can be used as photoinitiators for free-radical polymerization. The dihedral angles between the planes of the benzene and imide rings are 56.2 (1) and 52.9 (1)° in the two independent molecules in the asymmetric unit.

The title compound, C10H6N2O4, belongs to a series of N-aryl­male­imides. These N-substituted male­imides can be used as photo-initiators for free-radical polymerization. The mol­ecule has crystallographic twofold rotation symmetry. The dihedral angle between the planes of the benzene and imide rings is 42.98 (5)°

Fragment libraries have a major significance in drug discovery due to their role in de novo design and enumerating large and ultra-large compound libraries. Although several fragment libraries are commercially available, most are derived from synthetic compounds. The number of fragment libraries derived from natural products is still being determined. Still, they represent a rich source of building blocks to generate pseudo-natural products and bioactive synthetic compounds inspired by natural products. In this work, we generated and analyzed a fragment library of natural products from Colombia, a highly diverse geographical region where fragment libraries are yet to be reported. We also generated and reported fragment libraries of three novel natural product libraries and, as a reference, the most updated version of FDA-approved drugs. In line with the principles of open science, the fragment libraries developed in this study are freely available.