Search
119 articles for “protein interactions”
-
Insilico Structural Analysis and Homology Modeling of Crustin Protein from Fiddler Crab Species
Abstract: In terms of biomass and ecological or economic importance, the crustacea are the largest, most noticeable, and possibly, the most significance group of marine or aquatic arthropods. Because of their enormous commercial value and the necessity to prevent disease outbreaks in the shellfish aquaculture industry, decapods are the experimental animals of choice for practically all biological studies involving immune responses. Antimicrobial host-defense peptides (AMPs) are major components of metazoan immunity, …
Published in International Journal of Cheminformatics · Vol. 1, Issue 1, 2023 · pp. 1–7 Read article
-
A Structure-based Design Approach to Catharanthus roseus Phytoconstituents as Potential Inhibitors of B-Cell Lymphoma 6 Protein
Abstract: Objectives: Lymphoma is a cancerous disease. It develops into millions of people worldwide. Identify the naturally active compounds from Catharanthus roseus, they have multiple values in the medicinal field of Siddha, and Indian Ayurveda are used as a disease-preventing agent. Drug illness prediction, toxicity prediction, statistical information, molecular docking, as well as absorption, distribution, metabolism, and excretion (ADME) analysis are used to predict the fit ligand as a drug. Methods: …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 14–34 Read article
-
Arabidopsis thaliana. (L.) Heynh Multifunctional Sensor Proteins and Signaling Networks Plant Photoreceptors
Abstract: Light is a crucial environmental cue for the growth and development of plants as well as the production of photosynthetic energy. In order to recognize and process information from incoming light, plants employ sophisticated mechanisms. With the model plant Arabidopsis thaliana, five different types of photoreceptors have been found. (L.) Heynh Photoreceptors play a specialized and/or recurring role in fine-tuning many aspects of the plant's life cycle. Unlike mobile animals, …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 1, Issue 2, 2023 · pp. 08–24 Read article
-
Molecular Pharmacokinetics and Structural Docking of Phenolic Acids for Targeting NF-κB Pathway Components in Inflammation and Fibrosis: A Computational Approach Toward Therapeutic Discovery
Abstract: Inflammation and Fibrosis are critical pathological processes associated with various chronic diseases, often mediated by the nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) signaling pathway. This study investigates the therapeutic potential of phenolic acids as modulators of the NF-κB pathway, aiming to identify novel ligands that can effectively interact with key components of this signaling cascade. A comprehensive computational approach was employed, utilizing molecular docking, pharmacological screening, and post-docking …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 1, 2025 · pp. 14–31 Read article
-
Molecular Docking and Interaction of Anthocyanin Derivatives in Regulating Hippo-taz Pathway for Renal Injuries
Abstract: Introduction: The Hippo pathway plays a pivotal role in renal disease, with Yes-associated protein (YAP) exhibiting promise for combined treatments. The crucial evaluation of YAP-targeted drug safety and efficacy through preclinical studies is imperative. Additionally, α-SMA and SMAD3 emerge as potential therapeutic targets in renal fibrosis, driving ongoing research toward innovative interventions. Materials and Methods: In the systematic identification of therapeutic secondary metabolites, Anthocyanin derivatives were methodically retrieved from the …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 1, 2024 · pp. 23–38 Read article
-
Development And Quality Evaluation of Energy Ball Sing Oats and Pumpkin Seed
Abstract: Energy balls are a nutritious snack option, ideal for breakfast or mid-day consumption, composed of dry fruits, seeds, and dietary fiber. They serve as a source of slowly digesting carbohydrates, micro- and macronutrients, with energy primarily derived from carbohydrates like jaggery powder and dry dates powder containing fructose, glucose, and dextrose. The primary ingredients, pumpkin seeds, and oats are packed with health benefits. Pumpkin seeds provide dietary fiber, plant-based omega-3 …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 15, Issue 1, 2025 · pp. 16–29 Read article
-
Preserving Papaya Pulp with Potassium Metabisulfite: A Study on Prolonging Shelf Life
Abstract: Papaya is a highly perishable fruit with a shelf life of only 3 to 6 days under tropical conditions, leading to significant postharvest losses. This study aimed to preserve papaya pulp for subsequent use in product development .Pulp was extracted from “Indian Red Lady Variety” of papaya and treated with potassium metabisulphite (KMS) at concentrations of 500, 1000 and 1500 ppm. The treated pulp was stored at room and refrigerated …
Published in Research & Reviews : Journal of Food Science & Technology · Vol. 13, Issue 2, 2024 · pp. 06–14 Read article
-
In Silico Assessment of Demethoxycurcumin: Molecular Docking and Computational Insights into its various therapeutic Potential
Abstract: Natural compounds are increasingly explored for their therapeutic potential in medical research. Here, we focused on demethoxycurcumin (DMC), a polyphenolic bioactive compound extracted from Curcuma longa, commonly found in turmeric. DMC, with a chemical formula of C20H18O5 and a molecular weight of 340 g/mol, possesses two aromatic ring systems, each featuring a β-diketone moiety connected by a seven-carbon chain. This unique structure allows DMC to engage in tautomerism, which is …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 1, 2024 · pp. 9–15 Read article
-
Molecular Docking of Saraca asoca (Ashoka) Phytocompounds for Ovarian Cancer Therapy
Abstract: Objective: One of the top five cancers that causes death in women is ovarian cancer, with increases awareness till date the rate of survival is unpredictable. Even though there are advance treatments introduced, chemotherapy is most suggested to the ovarian cancer patients but the rate of relapses increased and the tumors get resistant towards the drugs. This present study is to evaluate the interaction of phytocompounds from Saraca asoca an …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 2, 2024 · pp. 27–35 Read article
-
Functional Biomolecules in Animal Nutrition: Biochemical Mechanisms and Their Impacts on Growth Performance and Health Outcomes
Abstract: Functional biomolecules have emerged as critical modulators of animal nutrition, extending beyond conventional nutrient supply to regulate biochemical and physiological processes that determine growth performance and health outcomes. This review synthesizes current knowledge on diverse classes of bioactive compounds, including amino acids, peptides, fatty acids, vitamins, minerals, phytochemicals, and microbial-derived metabolites, and their roles in livestock systems. Emphasis is placed on underlying biochemical mechanisms such as enzyme activation, nutrient signaling …
Published in International Journal of Nutritions · Vol. 3, Issue 2, 2026 Read article
-
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
-
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
-
The Invisible Engineers: How Viruses Change Cells at the Molecular Level
Abstract: Viruses are frequently thought of as simple parasites, yet at the molecular level, they are quite good at engineering and may change the way the cells they infect work. The Invisible Engineers: How Viruses Rewire Cells at the Molecular Scale looks into how viruses get into host cells, mess up intracellular circuits, and exploit molecular resources to make copies of themselves. This article talks about how viral proteins and nucleic …
Published in International Journal of Virus Studies · Vol. 3, Issue 2, 2026 · pp. 1–6 Read article
-
Computational Investigation of Phytochemicals Targeting AKT1 for Major Depressive Disorder: A Molecular Docking and ADMET Study
Abstract: Major depressive disorder (MDD) is a prevalent neuropsychiatric condition affecting approximately 280 million individuals worldwide, with women exhibiting a 50% higher likelihood of diagnosis than men. Despite significant advancements in treatment, MDD remains a chronic and relapsing disorder, necessitating the exploration of novel therapeutic interventions. This study focuses on the AKT1 gene, a key player in neuropsychiatric disorders, and investigates its interactions with natural phytochemicals as potential alternatives to conventional …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 2, 2025 Read article
-
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
-
Drug Repurposing of Anticancer Agents JP-8g and REDX05358 Against the Target Protein Plectin 1a in Epidemolysis Bullosa Simplex with Muscular Dystrophy (EBS-MD)
Abstract: Epidermolysis Bullosa Simplex with Muscle Dystrophy is a genetic disease affecting the skin and muscles which can be seen at birth or start at adulthood due to the mutation in the protein Plectin 1a (PLEC gene) causing skin blisters and muscle weakness. This protein is seen in sarcolemma, Z disks in skeletal muscles, hemidesmosomes in skin and cardiac muscles giving stability to cytoskeleton, playing a crucial role in neuromuscular transmission …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 22–34 Read article
-
Drug Induced Immune Mediated Nephritis: Molecular Mechanism , Pathways and Clinical Implications
Abstract: Drug-induced immune-mediated nephritis (DI-IMN) has become a more widely known cause of acute kidney injury (AKI), with the potential for development to chronic kidney disease if not detected and treated promptly. T-cell hypersensitivity to pharmaceuticals, such as antibiotics, proton pump inhibitors, nonsteroidal anti-inflammatory drugs, and immunological drugs, are the major causes for it. Beyond clinical burden, DI-IMN reflectsintricate molecular interactions that sustain interstitial inflammation and tubular injury. These interactions include …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 1, 2026 · pp. 13–29 Read article
-
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
-
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
-
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