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9 articles for “Rational Protein Design”
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Importance of Engineering of the Protein Molecules: A Review
Abstract: Engineering of the proteins is a powerful tool for production of the novel proteins that serve as catalysts to induce selective chemical and biological transformations that would not otherwise be possible. The methods of rational and random (methods entailing evolution, selection and the screening) are employed for the purpose to alter the specificity of the substarte profiles of selectivity through mutating the enzymes. The proteins identified through these techniques are …
Published in Journal of Catalyst & Catalysis · Vol. 7, Issue 2, 2020 · pp. 5–30 Read article
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Recent Developments in Structural Genomics: Uncovering Cellular Functions
Abstract: Structural genomics has become a groundbreaking field for understanding cellular functions by revealing the three-dimensional structures of proteins and other biomolecules. This field combines advanced methods like X-ray crystallography, nuclear magnetic resonance spectroscopy, cryo-electron microscopy, and computational modeling to explore the molecular structure and behavior of cellular components. Recent advances have significantly accelerated the pace of structure determination, bolstered by high-throughput methods and artificial intelligence tools like AlphaFold. These developments …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 30–35 Read article
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Emerging Therapeutic Discovery Against Escherichia coli Infection by Rational Inhibition of Fatty Acid Responsive Transcription Factor: Theoretical Molecular Investigations of Some Metabolites as Inhibitors of Fatty Acid Metabolism Protein
Abstract: For the discovery of effective agent for overcoming resistance against Escherichia coli (E. coli) bacteria by modulating Fatty Acid Metabolism Protein (FadR)—a Fatty Acid Responsive Transcription Factor. The present study involved discovery of some metabolites of furan, furan-2-yl, macrolactin, and chromene scaffold via in silico structure-based drug design (SBDD) technique by utilizing the Maestro 9.1 software. The study will provide clues, motivate, and throw light on imperative aspects for the …
Published in Research and Reviews : Journal of Computational Biology · Vol. 7, Issue 3, 2018 · pp. 1–7 Read article
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Pharmacodynamics and Drug–Receptor Interactions: Integrating PK/PD Modeling with Modern Drug Development
Abstract: Understanding drug action requires an integrated perspective of pharmacodynamics and pharmacokinetics, which together determine therapeutic efficacy and safety. This review provides a comprehensive overview of the mechanisms underlying drug action, with particular emphasis on drug–receptor interactions and their role in modulating physiological responses. Drugs exert their effects primarily through interactions with specific biological targets, including receptors, enzymes, ion channels, and transporters, resulting in a spectrum of desired and adverse outcomes. …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 · pp. 33–47 Read article
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Molecular Dynamics and Therapeutic Architectures of Cannabinoid Receptors: A Comprehensive Review
Abstract: Expanding on these foundations, recent structural biology studies using cryo-electron microscopy have provided high-resolution insights into the conformational dynamics of CB₁ and CB₂ receptors. These findings have enabled a more precise understanding of ligand–receptor interactions, particularly how agonists, antagonists, and reverse agonists stabilize distinct receptor states. Such knowledge is critical for rational drug design, allowing researchers to selectively modulate downstream signaling pathways. For instance, CB₁ receptors primarily couple to Gi/o …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 36–40 Read article
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From Quantum Chemistry to Bioprocess Intensification: Advanced Computational Modeling and Enzyme-Based Catalytic Platforms for Green Chemical Transformations
Abstract: Green chemistry requires the development of sustainable catalytic systems that minimize waste generation, reduce energy consumption, and improve process efficiency. Computational chemistry and biocatalysis have emerged as complementary approaches for environmentally responsible chemical manufacturing. Computational techniques such as quantum chemistry, density functional theory (DFT), molecular dynamics, and machine learning provide mechanistic insights into catalytic reactions and support the rational design of efficient catalysts. These approaches enable the prediction of reaction …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 45–52 Read article
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Exprimental Study on the Protective Action of rhGM-CSF for Acute Lung Injury
Abstract: Anti-cancer agents and radiation therapies result in various complications on respiratory systems like interstitial pneumonia, acute lung damage, bacterial pneumonia and pneumomycosis in clinical oncology. Recently it is being interested in variable rolls of GM-CSF to protect the lungs. We infuse the ethyl alcohol and lipopolysaccharide (LPS) to damage lung orally, and then inject GM-CSF subcutaneously at the same time and then observe the changes of lung tissue. As a …
Published in Research and Reviews : A Journal of Medical Science and Technology · Vol. 8, Issue 3, 2019 · pp. 4–8 Read article
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Nano-Chemical Revolution in Vaccinology: A Study
Abstract: The development of traditional vaccines, reliant on attenuated pathogens or purified proteins, has historically been limited by slow development timelines, poor stability, and low immunogenicity requiring potent, often non-specific, adjuvants. This synthesis argues that the convergence of nano-material science and meticulous chemical engineering represents the next major paradigm shift in preventative medicine. Nano-materials, particularly Lipid Nanoparticles (LNPs) and various polymeric or inorganic scaffolds, have transitioned from theoretical constructs to essential …
Published in Research and Reviews : A Journal of Immunology · Vol. 16, Issue 1, 2026 Read article
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Integrated Computational and Bio-catalytic Transformations: DFT-Guided Mechanistic Insights, Machine Learning, and Nano-biocatalyst Engineering for Sustainable Catalysis
Abstract: Computational catalysis has emerged as a transformative scientific discipline that integrates quantum chemistry, molecular modeling, machine learning, and density functional theory (DFT) to understand catalytic mechanisms and design highly efficient catalytic systems for sustainable industrial applications. The increasing global demand for environmentally responsible chemical manufacturing has accelerated research on advanced catalytic materials including transition metal catalysts, metal–organic frameworks (MOFs), homogeneous catalysts, heterogeneous systems, and bimetallic catalysts involving nickel and iron. …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 36–44 Read article