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29 articles for “drug molecule design”
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Valeton Phytoconstituents from Curcuma Phaeocaulis as Prion Protein Mutant V210I Inhibitors: A Computational Docking and Virtual Screening Study
Abstract: Objective: Creutzfeldt-Jakob disease (CJD), a neurological disorder that is sporadic, fatal, communicable, and worsens rapidly, is caused by abnormal folding of prion proteins. Identifying and assessing the potential of phytocompounds from the Curcuma phaeocaulis Valeton plant as a new therapeutic candidate aimed at the treatment of CJD is the objective of this research article. Methods: In this experiment, we assessed outcomes following an in-silico assessment to design a new oral …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 2, 2023 · pp. 1–16 Read article
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Emerging Digital Trends in Virology Software: Optimizing Viral Discovery, Surveillance,and Patient Management.
Abstract: Virology and antiviral therapeutics are being reshaped by rapid advances in computational tools, automation platforms, and virus-focused digital health applications. Software systems now span the entire virology value chain, from in silico viral target identification and antigen design, to AI-supported clinical trial management for vaccines and antivirals, to post-marketing pharmacovigilance and patient-facing mobile tools. This review examines current and emerging software trends relevant to virus studies, emphasizing applications in viral …
Published in International Journal of Virus Studies · Vol. 3, Issue 1, 2026 · pp. 29–38 Read article
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Advancements in Molecular Engineering: Innovations at the Nexus of Chemistry and Technology
Abstract: Molecular engineering, a frontier of chemistry, merges precision and innovation to design and assemble molecular structures with unprecedented control. This abstract explores recent advances, highlighting key breakthroughs and their transformative impacts. Starting with its roots in chemical synthesis and materials science, it traces the evolution towards rational design driven by computational tools and advanced characterization techniques, enabling tailored molecular architectures. A focal point is programmable molecules, where DNA nanotechnology principles …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 37–43 Read article
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Impact of Training Program on Recent Innovations in Oncology Among Nursing Professionals
Abstract: Introduction: In recent years, there have been significant advancements and trends in the field of oncology treatment in India. This study aimed to evaluate impact of training program on knowledge regarding recent innovations in oncology among nursing professionals. After ethical approval, a pre-experimental, one group pretest- post-test design was used to conduct this research at anursing college of Punjab. Methods: The sample was selected using the total enumerative sampling technique. …
Published in International Journal of Oncological Nursing and Practices · Vol. 3, Issue 1, 2025 · pp. 9–14 Read article
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Unveiling the Role of Lead Molecules in CADD: A Systematic Review
Abstract: The word "medicate plan" alludes to the objective creation of modern drugs. Arbitrary screening of engineered compounds, engineered of organically dynamic compounds based on actually happening drugs, amalgamation of basic analogs of actually happening lead particles, and usage of the bioisosteric hypothesis are a few of the strategies that have been utilized. As a result, the most recent drift in medicate plan is to either completely enhance a lead or …
Published in International Journal of Membranes · Vol. 1, Issue 1, 2024 · pp. 37–43 Read article
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Revolutionizing Artificial Organs: Next-Generation Membrane Technologies for Precision Medicine and Global Health
Abstract: Membrane technology has emerged as a cornerstone in the advancement of artificial organ systems, offering critical functionalities in selective molecular filtration, tissue scaffolding, and controlled therapeutic delivery. Recent innovations have propelled the field beyond traditional polymeric membranes to include nanostructured, biomimetic, and stimuli-responsive materials, significantly enhancing biocompatibility, selectivity, and durability. The integration of smart technologies, such as AI-driven membrane design, bioelectronic sensors, and personalized fabrication via 3D printing, is ushering …
Published in International Journal of Membranes · Vol. 2, Issue 2, 2025 · pp. 29–39 Read article
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Pharmacophore mapping, 3D QSAR, docking, and ADME prediction studies of novel Benzothiazinone derivatives
Abstract: Background Tuberculosis is a major public health concern worldwide which is caused by Mycobacterium tuberculosis. DprE1 (Decaprenyl Phosphoryl Ribose 2’- Epimerase) is the most challenging target for development of novel anti- tubercular agents because it is a small protein and located into cytoplasmic membrane. So, novel anti-TB drugs did not bound effectively with it. DprE1 catalyzes the oxidation of the 2’ hydroxyl group of DPR (Decaprenyl Phosphoryl D- Ribose) …
Published in International Journal of Antibiotics · Vol. 1, Issue 1, 2024 · pp. 59–82 Read article
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A Decade of Viral Evolution (2015–2025): Emergence, Mutations, and Implications for Global Health
Abstract: Over the past decade (2015-2025), viral evolution has profoundly reshaped the global health landscape, challenging healthcare systems, diagnostic tools, therapeutic strategies, and vaccine efficacy. This review comprehensively analyzes the evolutionary trajectories of major human and zoonotic viruses, with a focus on pandemic-prone, drug-resistant, and emerging pathogens. Viral evolution is driven by diverse molecular mechanisms including high mutation rates, recombination, reassortment, host immune pressure, and antiviral interventions, leading to genetic diversification, …
Published in International Journal of Vaccines · Vol. 2, Issue 2, 2025 · pp. 31–40 Read article
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Molecular Docking Studies for the Identification of Mycobacterial Adenosine Triphosphate (ATP) Synthase Inhibitors Using Active Phytocompounds from Plants Curcuma longa, Curcuma zedoaria and Galipea officinalis
Abstract: Objective: Tuberculosis (TB), known in human history for several decades, remains the second leading infectious disease after COVID-19. Still, the occurrence of TB increases due to the bacterium’s greater survival nature. They can survive in extreme conditions by being in long latency and adapting to the host. This study seeks to identify potential inhibitors from Curcuma longa, Curcuma zeodaria, and Galipea officinalis based on ancient folklore and compare them against …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 16–26 Read article