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212 articles for “docking studies”
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Isolation of Bioactive Molecules from Ficus racemosa – Its Biochemical Characterization and in silico Analysis of Antimicrobial Studies
Abstract: Many herbal remedies have been employed in various medical systems for the treatment and management of different diseases. In this study, the purpose is to extract and isolate the alkaloid from leaf-galls of Ficus racemosa plant using suitable solvents by soxhlet extracter and performing the antimicrobial activities against different bacterial and fungal strains and in silico analysis on membrane proteins, outer membrane protein A tran-membrane domain (OmpA) and Feruloyl esterase …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 3, Issue 2, 2013 · pp. 19–25 Read article
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Computational Exploration of Aristolochia indica Bioactive Compounds Against Snake Venom Proteins Using Docking and Dynamics Simulations
Abstract: Snakebite envenoming is a neglected health threat impacting millions of people each year especially in tropical and subtropical countries. Ethnomedicinal plants are sources of various bioactive compounds and have been utilised by several tribes across the world for centuries. Aristolochia indica is a perennial herb mentioned in the Indian Ayurveda with a long history of use against snake venom, scorpion venom, fevers, rheumatic arthritis, liver ailments, leishmaniasis etc. The major …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 1, 2026 · pp. 50–66 Read article
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Modulation of Receptor Proteins: A Recent Paradigm in Drug Discovery and Target
Abstract: The main aim in drug discovery is to design different ligands those work on specific drug targets. However, various effective drugs work through the modulation of many proteins than single target. Advancement in system biology are establishing a phenotypic strength and a network structure, which suggests that, the excellent selective compounds may be performed less than desired clinical efficacy in comparison to multi-target drugs. In this new appreciation of the …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 5, Issue 1, 2018 · pp. 14–24 Read article
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A Molecular Docking Approach for Unlocking the Potential of Bryophyllum peltatum Phytochemicals for Targeting Multiple Proteins in Mumps Treatment
Abstract: Objective: The Mumps virus is the source of the infectious illness mumps. It affects the parotid glands that make saliva. Swelling of this gland can cause severe pain in an individual. Finding the ADME qualities of several B. peltatum phytochemicals and determining which of these compounds may have the ability to prevent the mumps disease are the main objective of this investigation. Methods: The structure of Hemagglutinin-neuraminidase (HN) protein, was …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 13, Issue 1, 2023 · pp. 18–27 Read article
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Memory Reclamation Behavior Under cgroups v2 Versus Legacy cgroups: A Measurement Framework for Containerized Workloads
Abstract: Linux control groups (cgroups) are the kernel mechanism that lets container runtimes such as Docker, containerd, and CRI-O enforce per-container CPU, memory, and I/O limits, and the transition from the legacy cgroups v1 hierarchy to the unified cgroups v2 hierarchy changed several aspects of how the memory controller signals and responds to reclaim pressure most notably through the introduction of memory.low/memory.high soft-limit semantics and system-wide Pressure Stall Information (PSI). Kernel …
Published in Recent Trends in Parallel Computing · Vol. 13, Issue 2, 2026 · pp. 27–34 Read article
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Synthesis of Silver Nanoparticles of Cissus Quandrangularis and It’s Virtual Screening Against Gastric Cancer
Abstract: Gastric cancer, also known as stomach cancer, is the third leading cause of cancer-related deaths globally and remains a major health challenge due to its poor prognosis and high mortality, largely attributed to late-stage diagnosis. In this context, plant-based nanomaterials are gaining momentum for targeted therapeutic applications. Cissus quadrangularis, a medicinal plant native to India from the Vitaceae family, is traditionally used for its diverse healing properties. Its stem, in …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1551–1569 Read article
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Effect of Synthetic and Botanical Insecticides and Seed Germination, Mitotic Index of Pisum sativum and Zea mays
Abstract: The seed germination trials have relevance in selection plants for their prospective use in phyto remediation. The effect of synthetic pesticide monocrotophos and botanical insecticide azadirachtin on the seed germination of green pea and maize has been investigated in the present study. The germination of seeds was evaluated in the room temperature using petriplates with both the insecticides at the concentrations 100, 200 and 400 ppm, while distilled water is …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 1, Issue 1, 2011 · pp. 77–86 Read article
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In Silico Stability Analysis and Phosphorylation Induced Structural Simulation of Alpha-synuclein in Parkinson’s disease
Abstract: Alpha-synuclein (α-syn) is the major component of pathologic inclusions that characterizes neurodegenerative disorders such as Parkinson’s disease (PD), dementia with Lewy body disease, and multiple system atrophy. Mutations and phosphorylation of α-syn causes familial PD. Phosphorylation of α-syn at TYR125 and SER129 plays an important role in PD and enhances its partial digestion by calpains leading to its aggregation; however, the exact mechanism is unknown. The present study uses in …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 2, Issue 1, 2015 · pp. 15–21 Read article
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An Immuno-informatics Approach for the Design of Subunit Vaccine for Non-human Homolog Proteins of A.aegypti Species
Abstract: Mosquito borne diseases account for a major fraction of vector-borne diseases that account for significant morbidity amongst the population worldwide. The prevalence rate of mosquitoes in the common habitable area is so high that even after the implementation of several eradication programs their disease-causing rate is still quite significant. A.aegypti and A.albopictus are two prominent species of genus Aedes, which transmit viruses causing several infectious diseases such as dengue, zika …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 9, Issue 3, 2022 · pp. 1–8 Read article
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In silico Prediction of Two New Conformations of Aβ42 Peptide and Possible Mechanism of Their Aggregation
Abstract: Alzheimer’s disease is one of the most studied neurodegenerative diseases. The cause for most cases of this disease is unknown. However, there are many hypotheses regarding the progression of this disease. One of the hypotheses is the amyloid hypothesis. Amyloid precursor protein present on chromosome 21 is cleaved by β and γ sectretases. The cleaved fragments of this protein, nearly 36–43 residues long aggregates and are deposited as plaque in …
Published in Research and Reviews : Journal of Computational Biology · Vol. 8, Issue 1, 2019 · pp. 1–7 Read article
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Integrative Network Biology Analysis of GSE6011 Uncovers Molecular Signatures in Duchenne Muscular Dystrophy
Abstract: Duchenne muscular dystrophy (DMD) is a rare, severe neuromuscular disorder demonstrated by progressive skeletal muscle deterioration and premature mortality. Despite advances in supportive care, no definitive cure exists, highlighting the need to explore novel molecular targets. The current study aimed to uncover key dysregulated genes and molecular pathways in DMD through a dataset-specific network biology approach. Publicly available microarray data (GSE6011) from DMD quadriceps muscle biopsies of 22 patients and …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 3, 2025 · pp. 36–48 Read article
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Computational Simulations in Drug Discovery: Modeling Protein Folding and Drug Binding
Abstract: Computational simulations have become essential tools in drug discovery, offering unprecedented insights into molecular behavior at the atomic level. These simulations, particularly in the domains of protein folding and drug binding, allow for the exploration of complex biological systems that are often difficult to study experimentally. Protein folding, a critical aspect of drug discovery, involves the transition of a polypeptide chain from an unfolded to a biologically active structure. Understanding …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 1, 2025 · pp. 23–29 Read article