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184 articles for “Binding proteins”
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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
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In-Silico Repurposing of Antipsychotic Drugs Against Novel Protein Targets in Multidrug-Resistant Mycobacterium tuberculosis
Abstract: Multidrug-resistant TB is a growing worldwide health concern, particularly in high-burden areas. Resistance to frontline drugs like isoniazid and rifampicin is caused by mutations in key Mycobacterium tuberculosis proteins. Given the difficulty of developing new antibiotics, medication repurposing offers a good alternative. The potential use of molecular docking to target resistance-associated TB proteins with FDA-approved antipsychotic drugs is investigated in this work. Three proteins were selected: InhA (PDB ID: 5W07), …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 49–63 Read article
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In Silico Screening of Terminalia chebula Phytocompounds as Potential Inhibitors of NTCP and DDB1 in Hepatitis B Virus Infection
Abstract: Hepatitis B virus (HBV) infection is a major global health concern, and chronic carriers are at risk of developing cirrhosis, hepatocellular carcinoma (HCC), and even death. Existing treatments can effectively inhibit viral replication, but they achieve little eradication of the virus because of covalently closed circular DNA (cccDNA) retention. In this investigation, bioactive compounds of Terminalia chebula, a plant known for its hepatoprotective and antiviral properties in traditional medicine, were …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 13, Issue 1, 2026 · pp. 33–44 Read article
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Structure based pharmacophore Modelling of compounds against Neurodegenerative disorder – Amyotrophic Lateral sclerosis
Abstract: Amyotrophic lateral sclerosis (ALS) is a devastating neurodegenerative disease characterized by the progressive degeneration of motor neurons, leading to muscle dysfunction, paralysis, and eventually death. These diseases are classified as ALS variations because autopsies reveal abnormalities in both upper and lower motor neurons. These disorders account for only 10% of all adult-onset motor neuron disease cases. Despite extensive research efforts, effective therapeutic interventions for ALS remain limited. Structure-based pharmacophore modeling …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 3, 2023 · pp. 1–17 Read article
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In silico potential drug target identification against 4-aminobutyrate aminotransferase for Huntington diseases
Abstract: Huntington disease, HD is a progressive neurodegenerative disorder. Some excitatory chemicals released like glutamate which causes the cell damage and the neuron die due to over accumulation of the glutamate in Huntington diseases (HD), which is regulated by the GABA also known as gamma- amino butyric acid, it is a major inhibitory neurotransmitter of the nervous system. Here we are targeting the pyridoxal dependent enzyme which degrades the GABA neurotransmitter, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 4, Issue 3, 2017 · pp. 1–5 Read article
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Significance of Butyrophilin Gene in Relation to Milk Constituents in Dairy Animals
Abstract: Abstract Butyrophilin (BTN1A1) has been classified as member of transmembrane proteins of immunoglobulin family. BTN1A1 is a QTL candidate gene having role in milk production and composition (fat) in dairy animals. The gene product BTN1A1 has function during secretion of milk fat and its expression is tissue specific in lactating mammary tissue. Butyrophilin gene constitutes of a more than 40% by weight of total protein and synthesized as a peptide …
Published in Research and Reviews : Journal of Dairy Science and Technology · Vol. 6, Issue 1, 2017 · pp. 24–30 Read article
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Casein - A Unique Milk Protein
Abstract: Milk is a nutrient-rich food that contains proteins, fats, lactose, vitamins, minerals, enzymes, and other organic compounds. Essential for young mammals, milk proteins provide amino acids, nitrogen, and minerals necessary for muscle and tissue development. In human nutrition, milk is valued for its digestibility and as a source of calcium and phosphorus, crucial for infant growth. Milk proteins are classified into two primary types: caseins, which make up 75–80% of …
Published in Research and Reviews : Journal of Dairy Science and Technology · Vol. 13, Issue 3, 2024 · pp. 27–34 Read article
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Lactoferrin Nanoparticles as Therapeutic Agent for Infectious Diseases
Abstract: Lactoferrin (Lf) is a mammalian cationic iron-binding glycoprotein, present in many mammalian excretions and supporting newborn growth to food and pharmaceutical applications. It possesses antibacterial, antimicrobial, antiviral and antiparasitic activity thus, making it an important part of the host defense system. This review focusses on recent therapeutic advances of the natural bioactive protein Lf and its use as a potential treatment agent. Nanoparticles have been tremendously used for several clinical …
Published in Research and Reviews : Journal of Dairy Science and Technology · Vol. 7, Issue 3, 2018 · pp. 37–40 Read article
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Computer-aided Drug Design Method for Anti-hepatitis C Drug Design
Abstract: Hepatitis C is a disease caused by the hepatitis C virus and can cause serious liver damage. There is currently no vaccine for this disease and the number of infections continues to increase worldwide. Currently used antiviral drugs are interferon alfa-2a and ribavirin, but about half of patients do not respond to therapy. Therefore, new drugs that protect against hepatitis C need to be investigated. Computational drug methods have been …
Published in Research and Reviews : A Journal of Immunology · Vol. 14, Issue 2, 2024 · pp. 1–8 Read article
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Phytochemical Analysis of Organic Compounds as an Indicator of Metal Uptake in Selected Plants
Abstract: Plants contain a number of potential chelating agents such as amino acids, organic acids, peptides, and proteins, etc. These chelating compounds are very important for the physiological processes in plants. In addition, these ligands are found in both hyperaccumulator and non-hyperaccumulator plants and play a vital role in metal uptake from contaminated soil. Many organic compounds have been found to bind and accumulate trace and toxic metals in hyperaccumulating plants. …
Published in Research & Reviews : Journal of Botany · Vol. 9, Issue 3, 2020 · pp. 8–12 Read article
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In-Silico Studies of Phytochemicals from Allium sativum with H5N1 Protein in Avian Influenza
Abstract: Allium sativum or garlic is a medicinal plant that is reported for its applications in many biological activities, such as its antiviral, antidiabetic, and anti-inflammatory properties, etc. In this paper, the focus has been the identification of potential phytochemicals that can be extracted from Allium sativum that can act as a candidate for drug formation that possesses the capability to inhibit the H5N1 Avian Influenza, a type of highly pathogenic …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 2, 2024 · pp. 50–60 Read article
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Molecular Docking studies of Benzodiazepine Derivatives With GABA(B) Receptor
Abstract: Benzodiazepines (BZDs) are pharmacologically significant compounds that act by binding to GABA A neurotransmitter receptors, subsequently augmenting GABA-induced chloride ion flux, consequently inducing neuronal hyperpolarization. Benzodiazepines are commonly used in the treatment of sleep disorders, anxiety, muscle spasms, seizure disorders, and some forms of depression. The primary inhibitory neurotransmitter, GABA, functions on two types of receptors: the ligand-gated GABA A/C receptors and the G protein-coupled GABA B receptors. These neurotransmitters …
Published in International Journal of Toxins and Toxics · Vol. 1, Issue 2, 2024 · pp. 1–14 Read article
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The effective therapeutic strategies to fight against COVID-19 in India
Abstract: In December 2019, the global pandemic coronavirus infection (COVID-19) was first detected in Wuhan, Hubei Province, Central China. It is caused by coronavirus-2, which causes severe acute respiratory syndrome (SARS-CoV-2). This was declared by World Health Organization on 11th March 2020. In India, the first case of COVID-19 infection was reported in Kerala on January 27,2020 of a 20 yr old female presented to an Emergency Department in General Hospital, …
Published in Research and Reviews: A Journal of Toxicology · Vol. 12, Issue 1, 2022 · pp. 43–49 Read article
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Evaluating Linezolid: A Comprehensive Analysis
Abstract: Treatments for infections caused by Gram-positive bacteria, such as methicillin-resistant staphylococci and VRE, including skin and soft tissue infections, community-acquired pneumonia, and other infections treated with linezolid, an oxazolidinone antimicrobial agent that functions by specifically inhibiting protein synthesis. Even while antibiotic resistance is becoming more frequent in many nations, linezolid resistance among these pathogens is still low, typically less than 1%. Thus, the emergence of resistance in clinical isolates should …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 2, 2024 · pp. 11–16 Read article
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Epitope-Based Peptide Vaccine Design Against Nuclear Protein EBNA3C of Epstein-Barr Virus: An Approach to Treat Multiple Sclerosis
Abstract: Almost 95% of the world’s population is affected by the Epstein-Barr virus (EBV); it is an oncogenic virus of herpes virus family. The nuclear protein Epstein-Barr nuclear antigens (EBNA)-3C of EBV are related to multiple sclerosis (MS) which is an inflammatory disease of the nervous system. Regardless of multiple occurrences of infections due to EBV and shortage of licensed antiviral drugs, there is not much advancement on vaccine designed for …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 9, Issue 1, 2019 · pp. 62–72 Read article
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Identification of Promising Lead Compounds from Capsicum annuum Targeting BACE-1 for Alzheimer’s Disease Therapy: A Molecular Docking Study
Abstract: Background: Alzheimer's disease (AD) is a neurodegenerative disorder affecting millions of people worldwide. Beta-secretase 1 (BACE-1) is an important therapeutic target for AD treatment. Capsicum annuum (CA) is a commonly consumed plant with potential neuroprotective properties. In this study, we aimed to identify potential lead compounds from CA that can target BACE-1 for AD therapy using molecular docking. Methods: A library of 15 compounds from CA was obtained from PubChem, …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 1, 2023 · pp. 40–49 Read article
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A Computational Study to Elucidate the Phytochemicals as An Antagonist Against Pruritis in Psoriasis
Abstract: Objective: Psoriasis is a chronic, non-contagious, auto-immune skin disorder that causes inflammation, pain, and itching in the affected areas. The etiology of this condition is not entirely understood, and while there are treatments available to manage the symptoms, there is currently no cure. The Transient receptor potential cation channel, subfamily Vanillin, member 3 (TRPV3), present in keratinocytes, allegedly had a part in the development of psoriasis-related pain and itching. Specifically, …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 49–61 Read article
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Polymer Chemistry in Nutraceutical Composites: Exploring Natural Polymers and Binding Systems in a Bamboo-Enhanced Formulation
Abstract: Polymer chemistry underpins the development of advanced nutraceutical composites, blending natural polymers with functional ingredients for health benefits. This study examines a novel nutraceutical formulation comprising ragi (16.39 g/100g), wheat (12.29 g/100g), soybean (12.29 g/100g), buffalo milk (16.39 g/100g), buffalo butter (4.13 g/100g), bamboo extract (0.90 g/100g), and auxiliary components (37.61 g/100g, including fats, sugars, and proteins). Natural polymers—proteins from soybean and milk, polysaccharides from ragi and wheat—form a macromolecular …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 878–884 Read article
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Deciphering the Roles of Estrogen Receptors and 27-Hydroxycholesterol in BC Progression
Abstract: Breast cancer (BC) ranks among the top causes of cancer-related deaths in women worldwide. Many risk factors of BC are linked to estrogen. Experiments of Beatson in 1896 show the role of steroid hormones as major determinant in BC. Action of steroid hormones is mediated by their receptors including Estrogen receptors (ERs). ERs are part of a subfamily of ligand-regulated transcription factors. Their primary role is to translate hormone signals …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 2, 2024 · pp. 18–26 Read article
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Targeting PTPN22 in Arthritis: Molecular Docking and Pharmacokinetic Evaluation of Artemisia vestita Compounds
Abstract: Rheumatoid arthritis (RA) is a long-term autoimmune condition characterized by inflammation of the synovial membrane, commonly resulting in swelling, pain, stiffness, and overall fatigue. Protein tyrosine phosphatase non-receptor type 22 (PTPN22) has been identified as a risk factor linked to various autoimmune diseases, including RA. In the PTPN22 gene, two missense Single nucleotide polymorphisms (SNPs) are associated with autoimmune conditions. The R620W (C1858T, rs247660) variant in exon 14 has been …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 20–31 Read article