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5 articles for “multi-target searching”
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Quantitative Structure-activity Relationship in Computer-aided Drug Design: A Review
Abstract: Quantitative Structure-Activity Relationship stands at the forefront of Computer-Aided Drug Design, providing a systematic framework for understanding the relationship between the chemical structure of molecules and their biological activity. The present review delves into the multifaceted realm of quantitative structure-activity relationship methodologies within the landscape of drug discovery. Through an exploration of diverse quantitative structure-activity relationship models, molecular descriptors, validation techniques, and recent advancements, the present article aims to elucidate …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 2, 2024 · pp. 55–63 Read article
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Novel 1,3,4-Thiadiazole Derivatives: Design, Synthesis, Characterization and Anticancer Evaluation – A Review
Abstract: Cancer remains one of the leading causes of mortality worldwide despite significant advances in diagnosis and treatment. The clinical usefulness of many anticancer drugs is often restricted by toxicity, poor selectivity, and the emergence of drug resistance. These limitations have encouraged the search for novel heterocyclic compounds with improved therapeutic efficacy and safety. Among these, the 1,3,4-thiadiazole scaffold has gained considerable attention because of its favorable physicochemical characteristics, metabolic stability, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 2, 2026 Read article
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Perspectives on ‘Kamsaharitaki’: an Ayurvedic Formulation for COVID-19 related Multisystem Inflammatory Syndrome (MIS)
Abstract: Background and Aim: Angiotensin-converting enzyme 2 receptor (ACE2), together with Transmembrane protease serine 2 (TMPRSS2), is a protein receptor for SARS-CoV-2 virus in the host subject; expression of ACE2 and TMPRSS2 reveals the multidimensional character of COVID-19 infection. SARS-CoV-2 Prominently induces pulmonary and systemic injury with other synergistic mechanisms. Preexisting chronic inflammatory conditions markedly sustain and aggravate the severity and cytokine storm. Inflammatory responses are closely linked with COVID-19 severity …
Published in Journal of AYUSH: Ayurveda, Yoga, Unani, Siddha and Homeopathy Read article
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Generative AI-Based Inverse Design of Sustainable Biodegradable Polymers with Target Mechanical and Thermal Properties
Abstract: The escalating global plastic pollution crisis has intensified the urgent need for sustainable biodegradable polymer alternatives that can match or exceed the performance of conventional petroleum-based plastics while minimizing environmental impact. However, traditional polymer discovery approaches are severely constrained by high experimental costs, protracted development cycles spanning years, and fundamental inability to simultaneously optimize multiple conflicting material properties such as mechanical strength, thermal stability, and degradation kinetics. This study presents …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Nano Shield-EV: Graphene and CNT-Infused Polymer Composites for Advanced EMI Shielding in Electric Vehicles
Abstract: The rapid growth of electric vehicles (EVs) has intensified the need for lightweight, thermally stable, and mechanically robust electromagnetic interference (EMI) shielding materials to ensure the reliable performance of advanced electronic systems. Traditional metallic shields, though highly effective, increase vehicle weight and restrict design flexibility, thereby motivating the search for multifunctional polymer-based alternatives. In this study, NanoShield-EV introduces novel polymer nanocomposites fabricated via melt blending and compression molding, combining engineering-grade …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1036–1047 Read article