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83 articles for “molecular interactions”
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Interaction of Mosquito’s hppd Enzyme with Lansoprazole Sulfide A New Hope to Tackle the Mosquito Menace – an in-Silico Study
Abstract: Tyrosine detoxification is an important physiological process that helps blood-feeding insects, such as mosquitoes that transmit Plasmodium parasites causing malaria, digest their blood meals. An enzyme known as 4-hydroxyphenylpyruvate dioxygenase (HPPD), which is part of the tyrosine detoxification pathway, helps in removing excess tyrosine in a high-protein blood meal. Excess tyrosine can be lethal to the insects, and hence, the role of HPPD enzyme is very critical. Inhibitors of HPPD …
Published in International Journal of Insects · Vol. 3, Issue 1, 2026 · pp. 1–11 Read article
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Investigating The Alkalizing Potential of Chandanasava For Restoring Acid-Base Homeostasis in Renal Tubular Acidosis: A Computational and In Silico Pharmacological Study
Abstract: Chandanasava, a traditional Ayurvedic formulation, is recognized for its potential alkalizing properties, which may help restore acid-base homeostasis in conditions such as renal tubular acidosis (RTA). This study aims to investigate the active components of Chandanasava and their interactions with key renal target proteins, Pendrin and Carbonic Anhydrase II, which are essential for maintaining acid-base balance. An in silico approach was utilized to explore the pharmacological potential of the phytochemicals …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 28–52 Read article
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Screening Phytocompounds of Tinospora cordifolia to Find Potential Drug Targets for Cystic Fibrosis
Abstract: This study aimed to evaluate the therapeutic potential of phytocompounds derived from Tinospora cordifolia in treating cystic fibrosis (CF), a genetic disorder caused by mutations in the CFTR gene that lead to severe respiratory and digestive complications. Phytocompounds were retrieved from the IMPPAT database and subjected to molecular docking simulations using PyRx to assess their binding affinity to the CFTR protein. The top-scoring compounds – sterol, magnoflorine, tembetarine, kaempferol, and …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 3, Issue 1, 2025 · pp. 16–24 Read article
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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
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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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Integrating Network Pharmacology and Molecular Docking to Investigate Boerhavia diffusa for Pancreatic Cancer Treatment
Abstract: Objective: In this study, network pharmacology was applied to determine the therapeutic effects of the bioactive compounds of Boerhavia diffusa. Network pharmacology can unearth the underlying mechanisms between drugs and the disease targets and aids in the discovery of novel medications for complex conditions such as cancer. Methods: To predict the molecular mechanisms of action of Boerhavia diffusa in the treatment of was screened using the GeneCards database. The Venn …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 29–49 Read article
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Advanced Techniques in Filler Layering for the Malar Region: Implications for Cellular Integrity and Long-Term Outcomes
Abstract: Objective: This review investigates advanced filler layering techniques for the malar region, focusing on cellular integration, collagen remodeling, hydration dynamics via aquaporin channels, genetic responses, and filler performance over time. Emphasis is placed on high-density HA fillers (Lyft, Voluma, Volift, and Volux), examining cellular-level mechanisms, genetic interactions, and the role of key pathways (TGF-β, ERK/MAPK, AQP3) in long-term outcomes. Methods: A systematic review was conducted, focusing on genetic, cellular, and …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 1, 2025 · pp. 10–19 Read article
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Host-Pathogen Coevolution: Implications for Immune Evasion and Pathogen Fitness
Abstract: The interaction between hosts and pathogens represents a continuous evolutionary struggle, shaping both microbial virulence and host immunity. Pathogens employ diverse strategies to evade immune surveillance, ranging from antigenic variation and molecular mimicry to hijacking of host immune checkpoints. Simultaneously, hosts refine innate and adaptive immune mechanisms to counteract infection and limit damage. This reciprocal adaptation, known as host–pathogen coevolution, influences pathogen persistence, transmission, and fitness, while also sculpting immune …
Published in International Journal of Pathogens · Vol. 2, Issue 2, 2025 · pp. 6–10 Read article
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Host Invasion to Immune Evasion: Emerging Concepts in Pathogen Virulence Strategies
Abstract: The interaction between hosts and pathogens represents a continuous evolutionary struggle, shaping both microbial virulence and host immunity. Pathogens employ diverse strategies to evade immune surveillance, ranging from antigenic variation and molecular mimicry to hijacking of host immune checkpoints. Simultaneously, hosts refine innate and adaptive immune mechanisms to counteract infection and limit damage. This reciprocal adaptation, known as host–pathogen coevolution, influences pathogen persistence, transmission, and fitness, while also sculpting immune …
Published in International Journal of Pathogens · Vol. 3, Issue 1, 2026 Read article
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Drugs for Alzheimer’s Disease from Salix Alba Discovered Computationally Utilizing Virtual Screening and Docking against 1b41 Protein
Abstract: Objective : The of this research is to evaluate the feasibility of using molecular docking techniques to identify novel acetylcholinesterase, a key enzyme implicated in the pathogenesis of Alzheimer’s disease, a neurodegenerative disorder with a gradual but steady progression to death, due to the gradual accumulation of beta-plaques and neurofibrillary tangles, as well as a decline in acetylcholine levels. Due to its function in converting acetylcholine into acyl and choline …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 07–19 Read article
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In Silico Analysis and Docking Study of the Active Phyto Compounds of Ginkgo Biloba Against Alzheimer's Amyloid-Beta Protein
Abstract: Objective: Alzheimer's disease, an age-related progressive neurological condition, arises due to the accumulation of amyloid-beta protein within the brain. In this study, an attempt was made to explore the potential of natural compounds derived from Ginkgo, known for their diverse medicinal properties, in the prevention of the disorder by employing molecular docking techniques, conducting drug-likeness prediction assessments, and performing ADME analysis. Methods: Amyloid beta protein was retrieved from the PDB …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 Read article
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Fungal-derived Nutraceuticals & Bioactive Compounds with Physiotherapeutic and Health- promoting Properties: A Comprehensive Review
Abstract: Fungal-derived nutraceuticals represent a rapidly expanding field in biomedical research, offering a rich source of bioactive compounds with diverse therapeutic applications. This comprehensive review examines the physiotherapeutic and health-promoting properties of fungal metabolites, including polysaccharides, terpenes, proteins, peptides, alkaloids, fatty acids, vitamins, and minerals. Fungi produce over 9,000 bioactive compounds from approximately 22,500 microbial metabolites, with less than 5% of the fungal kingdom explored [1] . The major bioactive constituents …
Published in International Journal of Fungi · Vol. 2, Issue 2, 2025 Read article
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Photoreceptor Dynamics: Light Sensing and Cellular Responses for Photochemistry
Abstract: Photoreceptor dynamics represent a fundamental aspect of photochemistry, encompassing the mechanisms by which biological systems detect and respond to light stimuli. Photoreceptors are specialized proteins that undergo structural and functional changes upon photon absorption, initiating a cascade of molecular events that translate light signals into cellular responses. These proteins are ubiquitous across life forms, including microbial rhodopsins, plant phytochromes, and animal opsins, each finely tuned to specific wavelengths and light …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 28–32 Read article
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Host Invasion to Immune Evasion: Emerging Concepts in Pathogen Virulence Strategies
Abstract: Pathogens have evolved a wide repertoire of virulence strategies that allow them to invade host tissues, establish infection, and circumvent immune responses. From the initial steps of adhesion and colonization to complex molecular mimicry, antigenic variation, and immunomodulation, pathogens display remarkable adaptability. While traditional research has emphasized host cell entry and toxin production, emerging evidence highlights subtler and more dynamic strategies such as manipulation of host signaling pathways, subversion of …
Published in International Journal of Pathogens · Vol. 2, Issue 2, 2025 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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Viral Chronicles: The Ever-Evolving Saga of COVID-19
Abstract: Coronaviruses, belonging to the family of RNA viruses, have recently captured global attention owing to their remarkable ability to infect a diverse array of species, ranging from animals to humans. These viral agents, recognized by their characteristic crown-like morphology when observed through electron microscopy, have a historical association with zoonotic diseases. Previous examples include Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) and Middle East Respiratory Syndrome Coronavirus (MERS-CoV). The term "Corona" …
Published in International Journal of Virus Studies · Vol. 1, Issue 1, 2024 · pp. 16–25 Read article
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A Comprehensive Review on Pharmacological Properties of Coumarins
Abstract: Coumarins are a diverse group of secondary metabolites found in a variety of plant species (over 1200 different coumarins have been identified from natural sources, especially plants), as well as in fungi and microorganisms. Coumarin is a simple, widely occurring chemical structure in nature, present in many plants, fungi, and bacteria. In recent years, these natural compounds have attracted growing interest from the scientific community due to their broad spectrum …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 2, 2024 · pp. 12–17 Read article
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Medically Important Hemiptera: Bed Bugs and Kissing Bugs in Human Health.
Abstract: Bed bugs (family Cimicidae) and kissing bugs (subfamily Triatominae) are hematophagous Hemiptera of major medical importance, yet they differ markedly in their public health impact. Bed bugs have resurged globally over the past three decades, with infestations reported from homes, multi-unit housing, hotels, transportation, and healthcare facilities in both high and low-income settings. They are not established biological vectors of human pathogens, but their bites cause pruritic papules, urticarial, and …
Published in International Journal of Insects · Vol. 3, Issue 1, 2026 · pp. 41–49 Read article
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In-Silico Docking of Rubia cordifolia Phytocompounds as Potential MMP-2 Inhibitors for Varicose Vein Management
Abstract: Varicose veins are one of the most common disorders, affecting the vein structure and function of lower limbs, yet there has been no absolute cure found yet. One of the underlying causes for worsening of the condition is the proteolytic activity of MMPs which are a group of enzymes that affect the extracellular matrix (ECM) surrounding the affected veins. Phytocompounds of Rubia cordifolia (Manjishta) were docked against the MMP-2 protein …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 3, Issue 2, 2025 · pp. 31–42 Read article
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Metal Nanoparticle: Synthesis, Properties, and Their Dermatological and Cosmetic Impacts
Abstract: Nanoparticles (NPs) are materials with dimensions under 100 nm and various shapes, such as spheres and rods. Their advancement offers transformative potential in medical and healthcare fields. The increased application of NPs across molecular biology, chemistry, medicine, and material science reflects their growing importance. Due to their large surface area, NPs enhance substance delivery through the skin, benefiting cosmetic applications by improving penetration, efficacy, and targeted delivery of active ingredients.With …
Published in Recent Trends in Cosmetics · Vol. 2, Issue 2, 2025 · pp. 1–6 Read article