Lumpy skin disease (LSD), caused by a virus within the Poxviridae family and Capripoxvirus genus, induces nodular skin lesions in cattle. This spreads through direct contact and insect vectors, significantly affecting global cattle farming. Despite the availability of vaccines, their efficacy is limited by poor prophylaxis and adverse effects. Our study aimed to identify the potential inhibitors targeting the LSDV-encoded DNA polymerase protein (gene LSDV039) for further investigation through comprehensive analysis and computational methods. Virtual screening revealed rhein and taxifolin as being potent binders among 380 phytocompounds, with respective affinities of −8.97 and −7.20 kcal/mol. Canagliflozin and tepotinib exhibited strong affinities (−9.86 and −8.86 kcal/mol) among 718 FDA-approved antiviral drugs. Simulating the molecular dynamics of canagliflozin, tepotinib, rhein, and taxifolin highlighted taxifolin’s superior stability and binding energy. Rhein displayed compactness in RMSD and RMSF, but fluctuated in Rg and SASA, while canagliflozin demonstrated stability compared to tepotinib. This study highlights the promising potential of using repurposed drugs and phytocompounds as potential LSD therapeutics. However, extensive validation through in vitro and in vivo testing and clinical trials is crucial for their practical application.

Lumpy skin disease (LSD), caused by a virus within the Poxviridae family and Capripoxvirus genus, induces nodular skin lesions in cattle, spreading through direct contact and insect vectors, significantly affecting global cattle farming. Despite available vaccines, their effectiveness is limited by poor bioavailability and adverse effects. Our study aimed to identify potential inhibitors targeting LSD-associated DNA polymerase protein, selecting LSDV039 for further investigation through comprehensive analysis and computational methods. Virtual screening revealed rhein and taxifolin as potent binders among 380 phytocompounds, with respective affinities of -8.965 and -7.195 kcal/mol. Canagliflozin and tepotinib exhibited strong affinities (-9.858 and -8.856 kcal/mol) among 718 FDA-approved antiviral drugs. Molecular dynamics simulations of canagliflozin, tepotinib, rhein, and taxifolin highlighted taxifolin's superior stability and binding energy. Rhein displayed compactness in RMSD and RMSF but fluctuations in Rg and SASA, while canagliflozin demonstrated stability compared to tepotinib. The study highlights the promising potential of repurposed drugs and phytocompounds as LSD therapeutics. However, extensive validation through in-vitro, in-vivo, and clinical trials is crucial for their practical application.

This graphical abstract summarizes our integrated approach to the biological treatment of textile dye pollution. We first collected textile effluent and enriched and isolated dye-degrading bacteria, resulting in two promising isolates, Acinetobac ter baumannii and Acinetobacter pittii. Their dye-degradation efficiency was quantitatively assessed by spectrophotometry. We then performed Illumina whole-genome sequencing to explore the genetic basis of dye degradation. Genome analysis identified AzoR, an azoreductase associated with azo-bond cleavage, and yfeX, encoding a dye-decolorizing peroxidase involved in oxida tive degradation. Together, these findings provide a link between the observed dye-removal activity and the underlying genetic and enzymatic mechanisms, highlighting the potential of these bacteria for eco-friendly treatment of textile effluent. Rapid textile industry growth has increased azo dye pollution in aquatic ecosystems, creating ecological and health risks, while costly, inefficient conventional treatments highlight the need for sustainable bioremediation. This study aimed to isolate and characterize indigenous bacterial strains capable of degrading Basic Violet and Reactive Red dyes from textile industrial effluents, and to elucidate the genetic determinants underlying their biodegradation potential through whole-genome analysis. Effluent samples were collected and subjected to enrichment and isolation procedures. Dye degradation efficiency was quantitatively assessed by monitoring the reduction in absorbance at 590 nm (Basic Violet) and 554 nm (Reactive Red) under varying concentrations and incubation periods. Maximum degradation was observed at 150 ppm following 72 h of shaking incubation. Isolate-1 achieved 98.68% (Basic Violet) and 99.20% (Reactive Red) degradation, while Isolate-2 demonstrated 98.83 and 99.73% degradation, respectively. Whole-genome sequencing using the Illumina platform identified Isolate-1 as Acinetobacter baumannii and Isolate-2 as Acinetobacter pittii. Genome annotation revealed key dye-degrading genes, including azo reductase (azoR) and dye-decolorizing peroxidase (yfeX), confirming their enzymatic capacity for cleavage of the azo bond and oxidative degradation. The isolates demonstrated efficient laboratory-scale dye degradation and provide genomic insights into azo dye biodegradation.