Background/Objectives: Maresin 1 (MaR1), a pro-resolving mediator derived from docosahexaenoic acid (DHA), differs from DHA in its C7/C14 hydroxylation pattern and double-bond arrangement. We compared their recognition by peroxisome proliferator-activated receptor α (PPARα), peroxisome proliferator-activated receptor γ (PPARγ), and retinoic acid receptor-related orphan receptor α (RORα) in the context of metabolic dysfunction-associated steatotic liver disease (MASLD). Methods: We validated Glide docking by redocking reference ligands and performed four independent 250 ns molecular dynamics simulations per complex (24 trajectories; 6.0 μs). We evaluated structural stability, replica-resolved contacts, oxygen distance profiles, and conformational sampling; relative energetic estimates were obtained using molecular mechanics/generalized Born surface area (MM-GBSA) calculations. Results: Redocking RMSDs were ≤1.5 Å, and the replicated trajectories showed no ligand dissociation. In PPARα, MaR1 showed recurrent C7-OH–Lys358 proximity and reproducible carboxylate-associated contacts with Tyr314 and Ser280. In PPARγ, the MaR1 carboxylate sampled Tyr473 in helix 12 and HIE323 with replica-dependent geometry, whereas DHA retained an Arg288-centered anchor. In RORα, MaR1 preferentially sampled an Arg370-centered arrangement, whereas DHA predominantly engaged Arg367; both ligands displayed replica-dependent alternative polar contacts. MaR1 showed more negative hydrogen-bonding, lipophilic, and van der Waals contributions and lower numerical total MM-GBSA scores than DHA across all three receptor pairs. Conclusions: MaR1 showed receptor-specific redistribution of polar contacts associated with alternative carboxylate positioning. Although the calculations do not establish binding affinity or receptor activation, these patterns, rather than a conserved direct C7-OH/C14-OH recognition motif, define testable interaction sites for matched-analog studies and functional assays.

Leaves and stems span an extraordinary range of sizes and forms, yet how this diversity is coordinated in whole plants remains unclear, lacking both general theory and empirical tests across the full diversity of plant lineages. Here, we derive predictions from Metabolic Scaling Theory (MST)1 and test them using a globally standardized dataset spanning 1,473 species and nearly all woody plant families worldwide. Across lineages, climates, and growth forms, we show that twig cross-sectional area scales isometrically with leaf area (slope = 1), while leaf size scales to the 1/3 power with twig length, and to the -4/3 power with stem tissue density, all in conformity with predictions from MST. Plant height influences the intercepts, but not the slopes, of leaf-stem scaling relationships, indicating that twigs from taller plants have narrower twigs for a given leaf area, consistent with selection maintaining constant sapwood volume per unit leaf area. Our findings provide empirical support for an adaptive spectrum of leaf–stem coordination in plants, shaped by major tradeoffs and selection pressures, including plant height, that govern plant carbon allocation globally.