Highly toxic microcystins (MCs) perform complex interactions with many proteins that induce cellular dysregulation, leading to the development of several diseases including cancer. There is significant diversity and chemical complexity among MC congeners, which makes it difficult to identify structure-dependent toxicity outcomes and their long-term effects. The aim of this study was to exploratory identify likely molecular targets of the main MC variants (MC-LA, MC-LR, MC-RR, and MC-LY) by conducting a computational binding affinity analysis using AutoDock Vina to evaluate the interaction of the toxins with 1000 proteins related to different biological functions. All four variants showed strong in silico interactions with proteins that regulate metabolism/immune system, CD38 (top scoring hit, −11.5 kcal/mol); inflammation, TLR4 (−11.4 kcal/mol) and TLR8 (−11.5 kcal/mol); neuronal conduction, BChE; renin–angiotensin signaling, (ACE); thyroid hormone homeostasis (TTR); and cancer-promoting processes, among other biochemical activities. The results show MCs have the potential to bind onto distinct molecular targets which could generate biochemical alterations through a number of signal transduction pathways. In short, this study broadens our knowledge about the mechanisms of action of different variants of microcystins and provides information for future direct experimentation.

Microalgae are used as a lipid source for different applications, such as cosmetics and biofuel. The nonliving biomass and the byproduct from the lipid extraction procedure can efficiently remove antibiotics. This work has explored the potential use of Chlorella sp. biomasses for tetracycline ( Tc ) removal from highly concentrated aqueous media. Non-living biomass (NLB) is the biomass before the lipid extraction procedure, while lipid-extracted biomass (LEB) is the byproduct mentioned before. LEB removed 76.9% of Tc at 40 mg/L initial concentration and 40 mg of biomass, representing an adsorption capacity of 19.2 mg/g. Subsequently, NLB removed 68.0% of Tc at 50 mg/L and 60 mg of biomass, equivalent to 14.2 mg/g of adsorptive capacity. These results revealed an enhanced removal capacity by LEB compared with NLB and other microalgae-based materials. On the other hand, the adsorption kinetics followed the pseudo-second-order and Elovich models, suggesting chemisorption with interactions between adsorbates. The adsorption isotherms indicate a multilayer mechanism on a heterogeneous surface. Additionally, the interactions between the surface and the first layer of tetracycline are weak, and the formation of the subsequent layers is favored. The Chlorella sp. biomass after the lipid extraction process is a promising material for removing tetracycline; moreover, the use of this residue contributes to the zero-waste strategy.