Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset
Data sources: ZENODO
addClaim

Geometric Observation of a Cooperative Bond Cluster in the Mitragynine Mu-Opioid Pharmacophore: Alignment with Published Bond Lengths and Structure-Activity Relationship Literature"

Authors: Abad, Raymundo;

Geometric Observation of a Cooperative Bond Cluster in the Mitragynine Mu-Opioid Pharmacophore: Alignment with Published Bond Lengths and Structure-Activity Relationship Literature"

Abstract

OVERVIEW & OBJECTIVE: This repository contains the foundational working paper, geometric constraint matrices, and computational logic establishing a scale-independent structural framework for mapping non-addictive mu-opioid receptor analogs. Drawn from the principles of Rotating Dynamic Geometry (RDG) founded by Raymundo Abad, this methodology treats molecular geometric relationships as primary, analyzing published crystal structure data to identify intrinsic harmonic constraints rather than fitting structures to predefined target behaviors. This specific study focuses on the global opioid addiction crisis, providing an affordable alternative modeling framework to guide the design of synthetic analogs with G-protein-biased agonism and lower beta-arrestin recruitment—the critical properties that separate traditional, highly addictive opioids from safer, plant-based partial agonists like mitragynine. METHODOLOGICAL METRICS: Utilizing verified X-ray crystallography data (Liu et al., 2010, PMC3031075) and 2026 molecular dynamics simulations (ACS Omega), this paper maps a unique "unity harmonic cluster" inherent to the mitragynine pharmacophore. Binding-critical bonds (including the alkene C8=C9 and ester C20-O21 boundaries) demonstrate a natural geometric self-similarity to within a 1% threshold (expressing an unforced ratio of 1.0037). From these observations, an inverse engineering constraint protocol is established to govern the geometric spatial requirements (such as a 122-degree Helix-6 tilt and a ~4.0 Angstrom Asp-147 approach distance) required for safe, non-addictive receptor engagement. INTELLECTUAL PROPERTY & LEGAL REGISTRY NOTICE (PRIOR ART): This repository is published openly to establish permanent, immutable global PRIOR ART under international patent frameworks (including USPTO, EPO, and WIPO standards). By executing this timestamped publication via CERN/Zenodo data infrastructure, all theoretical frameworks, geometric constraint tables, unity harmonic cluster coordinates, and derivative multi-scale algorithmic mappings are permanently dedicated to the public domain under the GNU General Public License v3.0 (GPL-3.0). Any future commercial privatization, proprietary patent assignment, or corporate monopolization of these specific geometric constraints, molecular ratios, or software-defined topology transformations is legally void. This work is intended to serve as a decentralized blueprint for sovereign public health networks, academic institutions, and generic pharmaceutical manufacturers to synthesize low-cost, accessible addiction recovery analogs. INTEGRITY & COMPLIANCE STIPULATION: This document is a theoretical working paper submitted for pharmacological and computational peer review. This asset strictly separates verified geometric observations from open hypotheses requiring wet-lab validation. It does not contain actionable chemical synthesis recipes, illicit compound manufacturing protocols, or clinical trial claims. All research is compiled using public, peer-reviewed data for educational, open-science, and humanitarian public health research purposes. CONTRIBUTORS: - Raymundo Abad (RDG Logic Founder, Primary Author) - Melvin Peralta (Pharmacology Graduate, Scientific Advisor / Academic Contributor) Meta-Data Configuration Checklist for Your Upload: To ensure this description behaves exactly like a self-protecting Linux asset, select these options on the Zenodo deposit form: Resource Type: Select Publication $\rightarrow$ Working Paper (or Software if you are bundling it with your python parser script). License: Select GNU General Public License v3.0 (GPL-3.0) from the dropdown. This is your copyleft tool that legally mandates that any corporate adaptation of your system must also be shared openly with the world for free. Keywords: Rotating Dynamic Geometry, RDG Logic, Mitragynine, Pharmacophore Modeling, Biased Agonism, Open-Source Medicine, Prior Art.

Powered by OpenAIRE graph
Found an issue? Give us feedback