DOI: 10.3390/md24110394 ISSN: 1660-3397

From Computational Prioritization to Material Supply: A Proposed Two-Axis Record for Marine Invertebrate-Associated Natural Products and Derivatives

Yong Liu, Yi Lu, Meiling Su, Bai He, Jiahua Wang, Syed Zeeshan Haider, Muhammad Zohaib Nawaz

Marine natural products can show biological activity while remaining difficult to identify, reproduce, or obtain in sufficient quantity. This critical narrative review examines that mismatch and proposes a linked record for each exact chemical entity-indication pair. The documented evaluation stage (E1–E4) records computational, in vitro, animal, or human evaluation; the production/access stage (S1–S5) records physical access, an executed laboratory route, controlled pilot production, good manufacturing practice (GMP) clinical manufacture, or established commercial manufacture. Neither coordinate measures therapeutic merit, evidence strength, sustainability, or probability of success. Computational contribution (C), study quality, evidence direction, identity status, regulatory status, and scenario-specific supply adequacy remain separate. Seven purposively selected case lineages illustrate parent-derivative distinctions, computation-linked isolation, untested nominations, later synthesis, and unresolved assay-material identity. Cynthichlorine illustrates incomplete production reporting, while incompletely matched meridianin mixtures remain outside the joint matrix. A calculation comparing reported (+)-aeroplysinin-1 output with an explicitly defined assay requirement makes the supply question concrete without claiming that the scenario was performed. Borderline coding examples and stricter category rules support future independent application. No inter-rater assessment or prospective decision-impact study was performed; the proposal remains unvalidated. Its intended contribution is an auditable connection between evidence, material, and the next proposed experiment, rather than a readiness score.

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