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183 articles for “Binding proteins”
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In silico Molecular Docking Analysis of Stephania glabra phytocompounds Targeting Thymidylate Kinase for potential Antituberculosis Activity
Abstract: Tuberculosis (TB) is an infectious disease caused by the bacteria Mycobacterium tuberculosis. It mainly affects the lungs and spreads through the air when a person with active TB in their lungs coughs, sneezes, or spits. This study investigates several bioactive compounds derived from plants to forecast how effective plant-based ligands will be at preventing tuberculosis. The purpose of the study was to use computational techniques to assess the effectiveness of …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 · pp. 25–37 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
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Stingless Honeybee’s Rare Sugar and PCSK 9 - LDLR Interaction, A New Hope for Hormone Dependent Breast Cancer Patients – An In-silico Study
Abstract: Hypercholesterolemia is a lipid disorder characterized by elevated levels of low-density lipoprotein (LDL), commonly known as "bad" cholesterol. This condition is a significant risk factor in the development and progression of hormone-dependent breast cancer, as well as in the emergence of resistance to hormonal therapy. One of the key regulators of cholesterol metabolism is the proprotein convertase subtilisin/kexin type-9 (PCSK9) protein, which facilitates the degradation of the LDL receptor (LDLR) …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 1–6 Read article
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Iron Profile in Gestational Diabetes Mellitus
Abstract: Background: The precise mechanisms behind the etio-pathogenesis of gestational diabetes mellitus (GDM) are unknown. According to epidemiological evidence, GDM is linked to higher body iron reserves. Higher serum ferritin levels, which are widely employed as a marker of the body's iron store, have been observed in people with diabetes mellitus. The goal of this study was to see if this occurred in GDM women. Materials and Methods: From April 2023 …
Published in Trends in Drug Delivery · Vol. 10, Issue 2, 2023 · pp. 20–24 Read article
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Unlocking Novel Drug Targets and Therapeutic Advancements Against RNA Viruses: Insights from HMPV and SARS-CoV-2
Abstract: Re-emerging RNA viruses pose a significant epidemiological welfare threat due to their high mutation rates, potential for zoonotic transmission, and capacity to cause widespread outbreaks such as Human Metapneumovirus (HMPV), Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), Influenza, etc. The rapid evolution and re-emergence of these viruses necessitate the development of novel drug targets and therapeutic strategies to combat existing and future outbreaks. This study focuses on structural as well …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 15, Issue 3, 2025 · pp. 54–86 Read article
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Description & Prevention of Omicron
Abstract: November 9, 2021, Botswana becomes the first country to recognise it (Nov 11 2021). The new variant (B.1.529) has been represented in 77 countries. Omicron presents 32 changes in spike protein Scribd, restricting the point of interaction with the ACE2 receptor protein. Computational shows and components’ recreation has been applied to investigate the collaboration between the SARS-CoV-2 RBD and the ACE2 receptor. The receptor-binding domain (RBD), which more barely joins …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 8, Issue 4, 2023 · pp. 5–16 Read article
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Analysis of Docking Study on Protein Neprilysin (Neutral Endopeptidase) Inhibition for Anti-aging Treatment by Aloe Emodin and Aloe Emodin Carbonyl Derivative
Abstract: Attempts were made to perform comparative docking study of Aloe emodin and its derivative on Neprilysin (PDB code: 1R1J) by using VLife MDS software to ascertain the activity of both. From all the interactions (Hydrogen bond and vander waals) it was observed that, the common amino acids which interacts with the common ligand were ASN542A, ALA543A, ARG102A, ASN542A, VAL580A. The result showed that the AEC (–1790.15 KCal) showed high total …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 1, Issue 3, 2014 · pp. 6–11 Read article
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Molecular Cloning, Expression, Purification, and Characterization of Methionine Aminopeptidase
Abstract: MAP enzyme can efficiently remove N-terminal methionine from recombinant proteins. In the present study, MAP gene from genomic DNA of Escherichia coli was amplified, cloned into pET 11b vector and transformed into E.coli DH5a cloning strain to confirm the insertion of MAP gene, then plasmid was transformed into E. coli BL21 (DE3) expression strain. The protein was eluted with 25 mM NaCl and showed a purity of ~ 95% which …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 2, Issue 2, 2012 · pp. 12–24 Read article
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Insilico Modelling and Comparative Docking Studies of EWS-FLI1 Responsible for Ewing Sarcoma in Human Beings
Abstract: Ewing’s sarcoma (EWS) is a small round-cell tumor typically arising in the bones, rarely in soft tissues, of children and adolescents. Patho-genomic translocations involving the EWS gene on chromosome 22 and an ETS-type gene (Fli1) on chromosome 11, are implicated in more than 95% of Ewing’s sarcomas. A chimeric transcript that consists of the N-terminus of EWS i.e., Transcriptional Activation Domain is fused to the C-terminal portion of FLI1 i.e., …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 1, Issue 1, 2014 · pp. 36–45 Read article
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In Silico Investigation of 2,3-Dihydrobenzofuranfrom Centella asiatica: A Possible Pioneer in the Management of Tetanus
Abstract: Objective: Tetanus toxin (TeNT) is a neuroprotein toxin, the most toxic known. They have three functional domains and are structurally similar. They possess an N-terminal catalytic section (light chain), an internal domain for heavy-chain translocation (HN domain), and a C-terminal receptor binding domain for the heavy chain (Hc domain or RBD). Tetanus, an acute nerve-affecting disease, is provoked by a toxin-producing bacterium called Clostridium tetani. This bacterium is environmental, Gram-positive, …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 19–30 Read article
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The Interaction of Extracellular Matrix and Growth Factors
Abstract: The extracellular matrix (ECM) regulates cell behavior by influencing cell proliferation, survival, shape, migration and differentiation. ECM assembly is regulated by the 3D environment and the cellular tension that is transmitted through integrins. The hematopoietic microenvironment is a complex structure in which stem cells, progenitor cells, stromal cells, growth factors, and ECM molecules each interact to direct the coordinated regulation of blood cell development. Hematopoietic growth factors are any of …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 6, Issue 3, 2016 · pp. 9–23 Read article
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Butrin Tackles Retinoblastoma – A Clinical Hypothesis †
Abstract: Breach of association of legumain protein activities to the corresponding cellular components results in over-expression of legumain, and constitutes a key biomarker for a variety of life-taxing sicknesses like cancer, Alzheimer’s/Parkinson’s and acute kidney injury. To suppress the functions of legumain, it is hypothesized that a water soluble and edible biomolecule, namely, butrin (7, 3’, 4’-trihydroxy flavanone-7, 3’-diglucoside) may have the therapeutic potential owing to its special ability to bind …
Published in International Journal of Advance in Molecular Engineering · Vol. 2, Issue 1, 2024 · pp. 26–30 Read article
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Exploring Oroxylum indicum Phytochemicals as VEGFR-2 Inhibitors: A Molecular Docking Approach for Cancer Management
Abstract: Cancer is still a major health problem around the world and is one of the top causes of death. A protein called VEGFR-2 (vascular endothelial growth factor receptor 2) is important because it helps blood vessels grow by supporting the survival, movement, and growth of certain cells. This process is essential for tumors to grow and spread to other parts of the body. This study focused on evaluating the binding …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 48–62 Read article
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Computational Exploration of Bhrijraj-derived Phytochemicals as Potential Anti-inflammatory Agents: A Molecular Docking Study with Cyclooxygenase-II Complex
Abstract: The molecular docking analysis was meticulously conducted using state-of-the-art computational tools, notably Chimera and Python. These tools were employed to unravel the complex interactions between the identified phytochemicals from Bhrijraj and the target protein, COX-II. The 3D structures of the phytochemicals were prepared with precision using ChemSketch, ensuring accuracy in the subsequent molecular docking simulations. This rigorous approach enhances the reliability and validity of the findings. This research aims to …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 31–37 Read article
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Molecular Docking of Arjuna Tree Phytocompounds for Ischemic Heart Disease
Abstract: Heart disease is a serious condition that can be caused by several lifestyle changes and sometimes genetic problems. The primary protein component of apolipoprotein is the LDL receptor, which indicates that a reduction in LDL levels can reduce the risk of ischemic heart disease. Apolipoprotein levels are associated with increased levels of ischemic heart disease. Using ADMET analysis, drug likelihood prediction, and molecular docking, this work attempted to find natural …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 42–52 Read article
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In Silico Molecular Docking Studies of Phytoconstituents Identified in Curcuma zedoaria Rosc. on Acetylcholinesterase: An Enzyme Target for Anti Alzheimer’s Activity
Abstract: Alzheimer’s disease (AD) is a chronic, progressive and disabling organic brain disorder characterized by disturbances of multiple cortical functions. Acetylcholinesterase (AChE) inhibition is thought to be a promising approach towards the treatment of AD. The aim and objective of the present study is to perform in-silico docking analysis of the major active constituents identified in Curcuma zedoaria Rosc. against AChE for anti-Alzheimer’s activity. In this perspective, phytoconstituents like bisdemethoxy curcumin, …
Published in Research and Reviews : Journal of Computational Biology · Vol. 8, Issue 3, 2019 · pp. 9–14 Read article
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Effect of Sodium Caseinate Hydrolysate-Zinc Complex on the Quality Characteristics of Cupcake
Abstract: Casein hydrolysates (CNH)-mineral complexes are a promising strategy for enhancement of mineral absorption and reduction of mineral deficiency. In the present research, an attempt was made to develop CNH-Zn complex incorporated cupcake and in-vitro bioavailability of the zinc from the cupcake was explored. Among the various enzyme substrates used for the hydrolysis, the highest degree of hydrolysis was obtained for 1:25 enzyme substrate ratio for 120 min and 700 mg …
Published in Research and Reviews : Journal of Dairy Science and Technology · Vol. 10, Issue 1, 2021 · pp. 44–54 Read article
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ISGylation: A Key Host Cellular Defense Mechanism
Abstract: ISGylation, a crucial process of the innate immune response, has garnered increasing attention for its involvement in host's defense against pathogenic infections as well in cancer progression. The key player of ISGylation, ISG15, is stimulated by type I interferons (IFNs). ISG15 covalently binds with viral (influenza NS1A and nucleoproteins) and host (Nedd4, filamin B and CHMP5) target proteins and this interaction inhibits the viral replication process and release of viral …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 14, Issue 2, 2024 · pp. 68–80 Read article
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In Silico Exploration of Podophyllum Hexandrum-Derived Phytocompounds as Potential Therapeutics Against Small Cell Lung Cancer (SCLC): A Molecular Docking Approach
Abstract: Small Cell Lung Cancer (SCLC) is a fast-growing and aggressive type of lung cancer that spreads quickly strongly associated with smoking. It is characterized by symptoms, such as persistent cough, breathing difficulties, or hoarseness, though it can sometimes be asymptomatic which makes early detection challenging. The tumor suppressor gene TP53 is critical in regulating the cell cycle and preventing uncontrolled cell division. Mutations in TP53 result in the loss of …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 1–11 Read article
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Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative
Abstract: (E)-1-(2,3-dimethoxy benzylidene)hydrazine (2,3-DMBH) is synthesized by condensation reaction. FT-IR, ¹H NMR, ¹³C NMR spectra were recorded for this compound. The synthesized compounds were evaluated as potential drug candidates through ADME analysis and Lipinski’s rule verification. Molecular docking studies against six proteins using AUTO DOCK software showed promising results. Among them, 2,3-DMBH exhibited strong binding affinities, particularly with 3ERT (-5.44 kcal/mol), followed by 5F90, 7E9B, and 3EWD. These findings suggest that …
Published in Emerging Trends in Chemical Engineering · Vol. 12, Issue 2, 2025 · pp. 1–17 Read article