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- The convergence of precision medicine strategies, CRISPR gene editing technologies, and artificial intelligence (AI) is causing a revolutionary change in the pharmaceutical industry in recent times. Latest trends and future directions of these integrated technologies in pharmaceutical science and molecular biology are presented in the present exhaustive review. With more than 250 gene-editing clinical trials being tracked internationally as of February 2025, the recent clinical successes point toward the therapeutic potency of CRISPR-based therapeutics. In parallel, AI-based drug discovery platforms are recording fantastic hit rates; compared to conventional industry benchmarks, AI-emerging drugs reflect 80-90% Phase I trial success rates. Therapeutic development paradigms are being transformed by the intersection of machine learning algorithms, multi-omics technologies, and precision medicine paradigms. The review provides insights into the revolutionary potential of these converging approaches in addressing unmet medical requirements and optimizing therapeutic benefits through syntheses of existing evidence from clinical trials, regulatory matters, and technological innovations.
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- The global gold extraction industry has been reported to use cyanide-based recovery processes, which pose environmental effects on water resources. The study examined Coptodon zillii liver rhodanese from a gold mining-impacted reservoir with a specific focus on the enzyme’s critical function in cyanide detoxification. Rhodanese was purified using successive chromatographic techniques with 5.4 U/mg specific activity and 3.1-fold purification. The molecular weight of the native enzyme was 36 kDa, and the subunits were 17 kDa, indicative of a dimeric structure. Optimal enzymatic activity was recorded at pH 8.0 and 50 °C. The effect of metal ions was significantly varied: the activity was inhibited by BaCl2, CaCl2, NaCl, and MgCl2, and KCl enhanced performance. The kinetic determinations showed Michaelis-Menten kinetics with a Km of 20.0 mM for sodium thiosulfate and 25.0 mM for potassium cyanide. The enzyme’s minimal activity was identified toward 2-mercaptoethanol, ammonium persulfate, and ammonium sulfate, but with evidence of preference for thiosulfate utilization under the substrate specificity tests. The major interactions between the enzyme and the substrate were revealed by the molecular docking experiments. These showed Glu159, Gln161, and Arg173 formed important hydrogen bonds with thiosulfate, while Arg156 and Val172 were also involved. Other substrates are bound to Gln121 and Trp139 residues with much lower binding energy than thiosulfate. The findings increase our understanding of biochemical adaptation process knowledge in anthropogenically stressed environments, showing strategies of ecological resilience. The characterized enzymatic features showed potent cyanide detoxification potential, and the possible applications are in bioremediation strategies for mining-impacted aquatic ecosystems.
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- Alzheimer’s disease (AD) is characterized by the accumulation of amyloid beta plaques and neurofibrillary tangles composed of hyperphosphorylated tau protein. This study computationally investigated natural neem compounds (limonoids) and gut microbiome metabolites for their inhibitory potential against key AD targets. Molecular docking analyses were performed on approximately 200 neem phytochemicals and 9 microbial metabolites against betasecretase 1 (BACE1), gingipain cysteine protease, and tau oligomerization receptors using AutoDock. BBB permeability was computationally evaluated using six molecular descriptors: molecular weight, LogP, hydrogen bond acceptors/ donors, polar surface area, and rotatable bonds, categorizing compounds as highly or poorly BBB permeable based on established predictive criteria. The results revealed superior binding affinities of limonoids, notably Rutin (− 9.642 kcal/ mol), 7-benzoylnimbocinol (−9.706 kcal/mol), and tirucallol (−9.488 kcal/mol) against BACE1, gingipain protease, and tau oligomerization receptors, respectively. These compounds exhibited key interactions through hydrogen bonding with Gly34, Asn233 (rutin-BACE1), Lys311, and Asn363 (7-benzoylnimbocinol-gingipain) and hydrophobic interactions with Ile40 and Ile48 (tirucallol-tau). While these limonoids demonstrated binding affinities exceeding melatonin by >30%, their BBB permeability profiles necessitate sophisticated delivery strategies. Among gut microbiome metabolites, melatonin showed consistent binding across all targets (−7.079 to −8.452 kcal/mol). These findings establish limonoids’ superiority over gut microbiome metabolites and highlight their therapeutic potential as multi-target inhibitors in AD pathology, warranting investment in nanocarrier systems for optimizing BBB penetration.
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