Africa’s 1.5 billion people are underrepresented in genomic databases. The African Genome Variation Project exclusively focuses on Sub-Saharan populations, making Morocco, located in North Africa, a valuable site for studying genetic diversity. Understanding genetic variation and customized therapy requires population-specific reference genomes. This study presents Phase 1 results from the Moroccan Genome Project (MGP), which sequenced 109 Moroccan genomes. We report over 27 million variants, including 1.4 million novel ones, of which 15,378 are highly prevalent in the Moroccan population. Furthermore, we propose a Moroccan Major Allele Reference Genome (MMARG), generated using high-coverage consensus sequences from the 109 whole genomes. This MMARG represents more accurately the Moroccan genetic variation than GRCh38. This baseline study also generates an informative genetic variation database that supports regional population-specific initiatives and precision medicine in Morocco and North Africa. The results stress the necessity of population-relevant data in Human genetic research.

Marrubium vulgare L. is a medicinal plant widely used in traditional medicine, with emerging evidence of anticancer potential. This study investigated its bioactive compounds as inhibitors of Heat Shock Protein 90 alpha (Hsp90α), a molecular chaperone essential for oncogenic protein stability. Organic and aqueous extracts were profiled using high-performance liquid chromatography–mass spectrometry (HPLC–MS), revealing a diverse phytochemical composition. Identified compounds were screened against the full-length crystal structure of Hsp90α using a structure-based computational workflow that included extra-precision and domain-specific molecular docking, molecular dynamics (MD) simulations, and MM/GBSA binding free energy calculations. Pharmacokinetic and toxicity profiles were evaluated through ADMET predictions. This study elucidated the chemical composition of the plant and identified two hit compounds: Forsythoside B bound preferentially to the middle domain, potentially interfering with client protein interactions, and chlorogenic acid targeted the C-terminal domain, which regulates dimerization and allosteric activity. Both ligands displayed stable protein–ligand interactions during MD and favorable ADMET properties. These findings provide the first integrated chemical and computational prediction framework, suggesting that some M. vulgare metabolites may interact with Hsp90, highlighting its potential as a source of novel anticancer scaffolds and laying the groundwork for experimental validation and drug development.

Marrubium vulgare L. is a medicinal plant widely used in traditional medicine, with emerging evidence of anticancer potential. This study investigated its bioactive com-pounds as inhibitors of Heat Shock Protein 90 alpha (Hsp90α), a molecular chaperone essential for oncogenic protein stability. Organic and aqueous extracts were profiled using high-performance liquid chromatography–mass spectrometry (HPLC–MS), re-vealing a diverse phytochemical composition. Identified compounds were screened against the full-length crystal structure of Hsp90α using a structure-based computa-tional workflow that included extra-precision and domain-specific molecular docking, molecular dynamics (MD) simulations, and MM/GBSA binding free energy calculations. Pharmacokinetic and toxicity profiles were evaluated through ADMET predictions. This study elucidated the chemical composition of the plant and identified two hit com-pounds: Forsythoside B bound preferentially to the middle domain, potentially inter-fering with client protein interactions, and chlorogenic acid targeted the C-terminal domain, which regulates dimerization and allosteric activity. Both ligands displayed stable protein–ligand interactions during MD and favorable ADMET properties. These findings provide the first integrated chemical and computational analysis of M. vulgare targeting Hsp90α, highlighting its potential as a source of novel anticancer scaffolds and laying the groundwork for experimental validation and drug development.

Africa's 1.5 billion people are underrepresented in genomic databases. The African Genome Variation Project exclusively studied populations south of the Sahara, making Morocco, on Africa's northwest coast, a desirable genetic variety study site. Understanding genetic variation and customized therapy require population-specific reference genomes. This study presents Phase 1 results from the Moroccan Genome Project (MGP), which sequenced 109 Moroccan genomes. Of the 27 million variations we found, 1.4 million were unique and 15,378 were highly prevalent in Morocco. The first Moroccan Major Allele Reference Genome (MMARG) was built utilizing high-coverage consensus sequences from 109 whole genomes. The latter more accurately depicts Moroccan genetic variations than GRCh38. To support regional population-specific initiatives and precision medicine in Morocco and North Africa, this baseline research created a high-quality reference genome and genetic variation database. The results stress the necessity of population-relevant data in Human genetic research.