All Stories

  1. Sub-acute toxicity studies and dynamics-based molecular insights on the in vivo antimalarial activity of Ilex umbellulata (Wall.) Loes bark in Plasmodium berghei-infected mice
  2. Applications of Marine Nanoscience and Nanotechnology
  3. In-silico investigations of bioactive compounds from ginger against Lassa fever virus nucleoprotein
  4. In Silico design and evaluation of novel anti-tubercular agents as Inha inhibitors through a virtual screening approach
  5. In silico evaluation of the anti Helicobacter pylori activity of selected bioactive compounds from Aloe vera
  6. Low expression of MKRN1 promotes leukemia cell proliferation
  7. Therapeutic potential of Moringa oleifera phytochemicals as modulators of cathepsin B for Alzheimer’s disease management: insights from molecular docking and dynamics simulations
  8. Molecular Docking and Dynamics of 2,5-Pyrrolidinedione Analogue Using the SARS-CoV-2 Main Protease as Target Protein
  9. In-silico screening of small compounds against Lassa fever haemorrhagic virus nucleoprotein
  10. In-silico design and evaluation of quinoline-dione derivatives as Mycobacterium tuberculosis DprE1 inhibitors
  11. Discovery of novel thiazolopyrimidine derivatives targeting topoisomerase II: Design, synthesis, antiproliferative evaluation, molecular docking and apoptosis inducing activity
  12. Investigation of the antimalarial efficacy of Ilex umbellulata (Wall.) Loes. bark against Plasmodium falciparum using in-vitro whole-cell assays, GC-MS, LC-ToF-MS, and multi-step computational studies
  13. In-vitro and in-silico exploration of glycogen phosphorylase inhibition by Aloe sinkatana anthraquinones
  14. Identification of natural product inhibitors as potential drug candidates for treating Alzheimer's disease: molecular docking, molecular dynamics simulations, MM/GBSA and pharmacokinetics
  15. Clinical characteristics and genetic mutation analysis in 18 pediatric patients with Shwachman-Diamond syndrome
  16. KIFC1 inhibition: Exploring the potential of propolis-derived small molecules for targeting cancer progression through in silico analysis
  17. In silico analysis to explore the therapeutic potential of propolis-derived small molecules as matriptase inhibitors to suppress breast cancer growth and metastasis
  18. In-silico design of 3-Methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione Inhibitors against Tuberculosis via Docking and Dynamics Simulation Techniques, and Pharmacokinetic Evaluation
  19. Revealing the Therapeutic Potential of Pituranthos scoparius: Phytochemical Composition, Biological Activities, and Abiotic Stress Resilience Through In Vitro and In Silico Analyses from the Algerian Sahara
  20. Integrated Experimental and Computational Study of Imidazopyridine Derivatives: Synthesis, DFT, Molecular Docking and Dynamic Simulations
  21. Insight Study For Repurposing Of Certain Anti‐Inflammatory Drugs Based On Aspirin and Salicylic Acid Scaffolds For The Treatment of Cancer as CDKs Inhibitors: Cheminformatics and Anticancer Studies
  22. Wild-Type TP53 Predicts Poor Prognosis in Lower-Grade Glioma via TP53-CXCL14-GATA3 Axis
  23. In silico discovery of new ornithine decarboxylase inhibitor with potential for human African trypanosomiasis treatment
  24. Mechanistic approach in remedy of diabetes through plant bioactive polyphenolic compounds: an insilico study for modern drug discovery
  25. GATA3 and aging raise the susceptibility of metastasis to high-grade serous ovarian carcinoma
  26. Allosteric activation of AMPK ADaM’s site by structural analogs of Epigallocatechin and Galegine: computational molecular modeling investigation
  27. Boosting the catalytic efficiency of UGT51 for efficient production of rare ginsenoside Rh2
  28. Synthesis, characterization, and biological activity of silver nanofibers essential oils of prunus dulcis
  29. Computational design, pharmacokinetics, molecular docking and molecular dynamic simulation of novel anti-tubercular inhibitors
  30. Uncovering Potential Novel Antidiabetic Compounds from African Traditional Medicinal Plants: A Computer-Aided Study
  31. MiR-34a regulates renal circadian rhythms during cisplatin-induced nephrotoxicity
  32. Molecular dynamics-based computational investigations on the influence of tumor suppressor p53 binding protein against other proteins/peptides
  33. Synthesis, characterization, and biological activity of silver nanofibers essential oils of prunus dulcis
  34. Synthesis, characterization, antioxidant activity, docking and simulation of potential anticancer agents of azo dye for pyridyl and its palladium(II) complex
  35. In-silico assessment of bioactive compounds from chewing stick (Salvadora persica) against N-acetylneuraminate lyase (5ZKA) of Fusobacterium nucleatum involved in salicyclic acid metabolism
  36. Interactions between microbiota and uterine corpus endometrial cancer: A bioinformatic investigation of potential immunotherapy
  37. Cheminformatic evaluation of the multi-protein binding potential of some diselenide derivatives: A plausible drug discovery approach for leishmaniasis
  38. Structure-based discovery of F. religiosa phytochemicals as potential inhibitors against Monkeypox (mpox) viral protein
  39. Synthesis, characterization, DFT, ADMET, MD analysis and molecular docking of C-3 functionalized imidazo[1,2-a]pyridine motifs
  40. Synthesis, Characterization, Antibacterial, and Molecular Docking and Dynamics Studies of Novel 2-thioxoimidazolidin-4-one Analogue
  41. Potential inhibitors of VEGFR1, VEGFR2, and VEGFR3 developed through Deep Learning for the treatment of Cervical Cancer
  42. Green synthesis of bio-mediated silver nanoparticles from Persea americana peels extract and evaluation of their biological activities: In vitro and in silico insights
  43. Ganoderic acid A targets IL-1R1 and disrupts IL-1β binding in human cancer cells
  44. Multitarget strategy of GATA3 and high-grade serous ovarian carcinoma: Where are we now?
  45. Real-world evidence: Risdiplam in a patient with spinal muscular atrophy type I with a novel splicing mutation and one SMN2 copy
  46. Evaluation of chalcones as new glycogen phosphorylase inhibitors – an in-vitro and in-silico approach
  47. In-silico investigations of novel tacrine derivatives potency against Alzheimer's disease
  48. Molecular dynamic analyses of the interaction of SARS-CoV-1 or 2 variants with various angiotensin-converting enzyme-2 species
  49. PDL-1 and insulin resistance in obesity: a possible pathway for macrovascular disease
  50. Inhibition of respiratory syncytial virus by Daclatasvir and its derivatives: synthesis of computational derivatives as a new drug development
  51. Explainable artificial intelligence-assisted virtual screening and bioinformatics approaches for effective bioactivity prediction of phenolic cyclooxygenase-2 (COX-2) inhibitors using PubChem molecular fingerprints
  52. Dual inhibitory potential of ganoderic acid A on GLUT1/3: computational and in vitro insights into targeting glucose metabolism in human lung cancer
  53. Cholinesterase Inhibitory Activity of Paeoniflorin: Molecular Dynamics Simulation, and In Vitro Mechanistic Investigation
  54. Potential honey bee (Apis mellifera) allergens associated with IgE-mediated allergy- An In-silico study
  55. Fullerene (C60) Supplementation Stimulated Anammox Granules at Low Doses and Inhibition Occurred at High Doses: Phenomenon and Mechanism
  56. Development and optimization of film forming non-pressurized liquid bandage for wound healing by Box-Behnken statistical design
  57. Cheminformatics-based discovery of new organoselenium compounds with potential for the treatment of cutaneous and visceral leishmaniasis
  58. Identification of novel dual acting ligands targeting the adenosine A2A and serotonin 5-HT1A receptors
  59. Relationship between gut microbiota dysbiosis and immune indicator in children with sepsis
  60. Preparation of LSPR enhanced Z-scheme Pd/WO3@SnO2 for photocatalytic decomposition of organic compounds under simulated sunlight
  61. Promising Experimental Anti-SARS-CoV-2 Agent “SLL-0197800”: The Prospective Universal Inhibitory Properties against the Coming Versions of the Coronavirus
  62. Combination of Synonymous and Missense Mutations in JAK3 Gene Contributes to Severe Combined Immunodeficiency in One Child
  63. Metformin as a promising target for DPP4 expression: computational modeling and experimental validation
  64. CTLA-4 and ovarian cancer residual tumors: the dark side of debulking surgery
  65. In-silico screening of Acacia pennata and Bridelia retusa reveals pinocembrin-7-O-β-D-glucopyranoside as a promising β-lactamase inhibitor to combat antibiotic resistance
  66. Potential Effect of Baobab’s Polyphenols as Antihyperlipidemic Agents: In Silico Study
  67. Acute necrotizing encephalopathy in children with COVID-19: a retrospective study of 12 cases
  68. Immune Checkpoint Inhibitors: Recent Clinical Advances and Future Prospects
  69. Molecular interactions, binding stability, and synergistic inhibition on Acetylcholinesterase activity of Safranin O in combination with Quercetin and Gallic acid: In vitro and in silico study
  70. Molecular modeling study of micro and nanocurcumin with in vitro and in vivo antibacterial validation
  71. Interplay between LPL and GPIHBP1 in COVID-19 patients: a possible mechanism for post-recovery cardiomyopathy
  72. Microplastics in canned, salt-dried, and instant sea cucumbers sold for human consumption
  73. Molecular dynamic and bioinformatic studies of metformin-induced ACE2 phosphorylation in the presence of different SARS-CoV-2 S protein mutations
  74. Constituents of Stachys plants as potential dual inhibitors of AChE and NMDAR for the treatment of Alzheimer’s disease: a molecular docking and dynamic simulation study
  75. Syphilis mimetic nanoparticles for cuproptosis-based synergistic cancer therapy via reprogramming copper metabolism
  76. Dual synergistic inhibition of COX and LOX by potential chemicals from Indian daily spices investigated through detailed computational studies
  77. Synthesis, characterization, antimicrobial studies, and molecular docking studies of transition metal complexes formed from a benzothiazole-based azo ligand
  78. Synthesis, characterization, antimicrobial studies, and molecular docking studies of transition metal complexes formed from a benzothiazole-based azo ligand
  79. Exploring particulate methane monooxygenase (pMMO) proteins using experimentation and computational molecular docking
  80. N ‐Aroyl‐ N′ ‐(1‐Naphthyl)‐ N′′ ‐aryl guanidines as a New Entry to Urease Inhibitors: Synthesis, Kinetic Mechanism, Molecular Docking and MD Simulation Studies
  81. Revisiting macrophages in ovarian cancer microenvironment: development, function and interaction
  82. Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation of EGFR for the Clinical Treatment of Glioblastoma
  83. Threat of respiratory syncytial virus infection knocking the door: a proposed potential drug candidate through molecular dynamics simulations, a future alternative
  84. Study on Molecular Anti-tumor Mechanism of 2-Thiohydantoin Derivative based on Molecular Docking and Bioinformatic Analyses
  85. GC-MS Based Metabolite Profiling, and Anti-Inflammatory Activity of Aqueous Extract of Myrica esculenta through In Vitro and In Silico Approach
  86. Distinct roles of carbohydrate-binding modules in multidomain β-1,3–1,4-glucanase on polysaccharide degradation
  87. Remodeling articular immune homeostasis with an efferocytosis-informed nanoimitator mitigates rheumatoid arthritis in mice
  88. Multi-target molecular dynamic simulations reveal glutathione-S-transferase as the most favorable drug target of knipholone in Plasmodium falciparum
  89. Novel Investigational Anti-SARS-CoV-2 Agent Ensitrelvir “S-217622”: A Very Promising Potential Universal Broad-Spectrum Antiviral at the Therapeutic Frontline of Coronavirus Species
  90. Above the Invasive and Ornamental Attributes of the Traveler’s Palm: An In Vitro and In Silico Insight into the Anti-Oxidant, Anti-Enzymatic, Cytotoxic and Phytochemical Characterization of Ravenala madagascariensis
  91. Novel slow-binding reversible acetylcholinesterase inhibitors based on uracil moieties for possible treatment of myasthenia gravis and protection from organophosphate poisoning
  92. A bioinformatic analysis of the role of TP53 status on the infiltration of CD8+ T cells into the tumor microenvironment
  93. Evaluation of a series of nucleoside analogs as effective anticoronaviral-2 drugs against the Omicron-B.1.1.529/BA.2 subvariant: A repurposing research study
  94. Trojan Horse Nanocapsule Enabled in Situ Modulation of the Phenotypic Conversion of Th17 Cells to Treg Cells for the Treatment of Multiple Sclerosis in Mice
  95. A Series of Adenosine Analogs as the First Efficacious Anti‐SARS‐CoV‐2 Drugs against the B.1.1.529.4 Lineage: A Preclinical Repurposing Research Study
  96. Antibacterial and antibiofilm activity of mannose-modified chitosan/PMLA nanoparticles against multidrug-resistant Helicobacter pylori
  97. Inhibition of the predicted allosteric site of the SARS-CoV-2 main protease through flavonoids
  98. Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential
  99. Insight into the Hantaan virus RNA-dependent RNA polymerase inhibition using in-silico approaches
  100. A Comprehensive Study of N-Butyl-1H-Benzimidazole
  101. In-silico studies of glutathione peroxidase4 activators as candidate for multiple sclerosis management
  102. Forodesine and Riboprine Exhibit Strong Anti-SARS-CoV-2 Repurposing Potential: In Silico and In Vitro Studies
  103. GATA3 as an immunomodulator in obesity-related metabolic dysfunction associated with fatty liver disease, insulin resistance, and type 2 diabetes
  104. Hypertension is still a moving target in the context of COVID‐19 and post‐acute COVID‐19 syndrome
  105. Stimulating the Fermentation Process of Industrial Food Waste via Nonionic Surfactant/Graphene Nanosheet Combined Supplementation
  106. Cardiovascular complications in the post-acute COVID-19 syndrome: A novel perspective down the road
  107. Dual Computational and Biological Assessment of Some Promising Nucleoside Analogs against the COVID-19-Omicron Variant
  108. Multifunctional nanoparticles based on marine polysaccharides for apremilast delivery to inflammatory macrophages: Preparation, targeting ability, and uptake mechanism
  109. Identification and Inhibition of the Druggable Allosteric Site of SARS-CoV-2 NSP10/NSP16 Methyltransferase through Computational Approaches
  110. MD Simulation Studies for Selective Phytochemicals as Potential Inhibitors against Major Biological Targets of Diabetic Nephropathy
  111. Intracavity generation of glioma stem cell–specific CAR macrophages primes locoregional immunity for postoperative glioblastoma therapy
  112. In Silico Study and Excito-Repellent Activity of Vitex negundo L. Essential Oil against Anopheles gambiae
  113. Rhamnolipid-Coated Iron Oxide Nanoparticles as a Novel Multitarget Candidate against Major Foodborne E. coli Serotypes and Methicillin-Resistant S. aureus
  114. Epigenetic drug (XL019) JAK2 inhibitor increases mitochondrial function in brown adipocytes by upregulating mitochondrial uncoupling protein 1 (UCP1), screening of epigenetic drug libraries, cell viability, and in-silico studies
  115. Computational studies on potential new anti-Covid-19 agents with a multi-target mode of action
  116. Comprehensive structural and functional characterization of a seed γ-thionin as a potent bioactive molecule against fungal pathogens and insect pests
  117. Berberine chloride (dual topoisomerase I and II inhibitor) modulate mitochondrial uncoupling protein (UCP1) in molecular docking and dynamic with in-vitro cytotoxic and mitochondrial ATP production
  118. Sarcorucinine-D Inhibits Cholinesterases and Calcium Channels: Molecular Dynamics Simulation and In Vitro Mechanistic Investigations
  119. Chalcone Scaffolds Exhibiting Acetylcholinesterase Enzyme Inhibition: Mechanistic and Computational Investigations
  120. Bioinspired nano-painting on orthopedic implants orchestrates periprosthetic anti-infection and osseointegration in a rat model of arthroplasty
  121. In-silico investigation of phenolic compounds from leaves of Phillyrea angustifolia L. as a potential inhibitor against the SARS-CoV-2 main protease (Mpro PDB ID:5R83) using a virtual screening method
  122. Glycyrrhizin (Glycyrrhizic Acid) HMGB1 (high mobility group box 1) inhibitor upregulate mitochondrial function in adipocyte, cell viability and in-silico study
  123. Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation and Pharmacokinetic modelling of Cyclooxygenase-2 (COX-2) inhibitor for the clinical treatment of Colorectal Cancer
  124. Anticancer, antioxidant activities and molecular docking study of thiazolidine-4-one and thiadiazol derivatives
  125. The role of GATA3 in the metastasis of triple-negative breast cancer and high-grade serous ovarian cancer
  126. Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound
  127. Trigonella foenum-graecum Methanolic Extract on Isolated Smooth Muscles and Acetylcholinesterase Enzyme: An In Vitro and Mechanistic In Silico Investigation
  128. Structure-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation of VEGF inhibitors for the clinical treatment of Ovarian Cancer
  129. Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro
  130. Inhaled mRNA Nanoformulation with Biogenic Ribosomal Protein Reverses Established Pulmonary Fibrosis in a Bleomycin‐Induced Murine Model
  131. Spectroscopic, Solvation Effects and MD Simulation of an Adamantane-Carbohydrazide Derivative, a Potential Antiviral Agent
  132. Corrigendum: Effects of Zinc Oxide Nanoparticles Synthesized Using Aspergillus niger on Carbapenem-Resistant Klebsiella pneumonia In Vitro and In Vivo
  133. Molecular dynamic study of SARS-CoV-2 with various S protein mutations and their effect on thermodynamic properties
  134. Correction to: Arabidopsis NLP7 improves nitrogen use efficiency and yield in cotton
  135. Arabidopsis NLP7 improves nitrogen use efficiency and yield in cotton
  136. Molecular docking and dynamic simulations of Cefixime, Etoposide and Nebrodenside A against the pathogenic proteins of SARS-CoV-2
  137. Preparation, urease inhibition mechanisms, and anti-Helicobacter pylori activities of hesperetin-7-rhamnoglucoside
  138. Novel Slow-Binding Reversible Acetylcholinesterase Inhibitors Based on Uracil Moieties for Possible Treatment of Myasthenia Gravis and Protection from Organophosphate Poisoning
  139. Computational Study of SARS-CoV-2 RNA Dependent RNA Polymerase Allosteric Site Inhibition
  140. Novel Schiff Bases Ligands and Their Complexes: Thermal Analysis, Antibacterial Activity, and Molecular Docking
  141. In silico identification and study of potential anti-mosquito juvenile hormone binding protein (MJHBP) compounds as candidates for dengue virus - Vector insecticides
  142. In silico studies on phytochemicals to combat the emerging COVID-19 infection
  143. Phenolic profile, antioxidant and enzyme inhibition properties of seed methanolic extract of seven new Sunflower lines: From fields to industrial applications
  144. Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies
  145. What are the challenges faced by COVID-19 vaccines?
  146. Effects of Zinc Oxide Nanoparticles Synthesized Using Aspergillus niger on Carbapenem-Resistant Klebsiella pneumonia In Vitro and In Vivo
  147. Long-Term Impact of Transhumance Pastoralism and Associated Disturbances in High-Altitude Forests of Indian Western Himalaya
  148. Species Distribution Pattern and Their Contribution in Plant Community Assembly in Response to Ecological Gradients of the Ecotonal Zone in the Himalayan Region
  149. Botrytis cinerea alcohol dehydrogenase mediates fungal development, environmental adaptation and pathogenicity
  150. Design of lipid-based nanocarrier for drug delivery has a double therapy for six common pathogens eradication
  151. Ebselen suitably interacts with the potential SARS-CoV-2 targets: an in-silico approach
  152. In the face of the future, what do we learn from COVID-19?
  153. Plant Resources Utilization among Different Ethnic Groups of Ladakh in Trans-Himalayan Region
  154. GATA3 as a regulator for naughty cancer-associated fibroblasts in the microenvironment of high-grade serous ovarian cancer
  155. Species-specific and altitude-related variations in stomatal features ofBerberis lyciumRoyle and B. parkeriana C.K. Schneid
  156. Co-delivery of hesperidin and clarithromycin in a nanostructured lipid carrier for the eradication of Helicobacter pylori in vitro
  157. Future Directions of Fibrosis in Medicine
  158. Are the new SARS-CoV-2 variants resistant against the vaccine?
  159. Caffeic acid derivatives (CAFDs) as inhibitors of SARS-CoV-2: CAFDs-based functional foods as a potential alternative approach to combat COVID-19
  160. Progress in research on the S protein as the target of COVID-19 vaccines
  161. Neuropilin-1 may be responsible for retinal findings in patients with COVID-19
  162. Analgesic and Anti-Inflammatory Potential of Essential Oil of Eucalyptus camaldulensis Leaf: In Vivo and in Silico Studies
  163. Reply to “Comment on ‘In Situ Mannosylated Nanotrinity-Mediated Macrophage Remodeling Combats Candida Albicans Infection’”
  164. Transplacental transmission of SARS-CoV-2 infection via NRP1
  165. Ovarian cancer immunotherapy of NF-κB may have a dark side
  166. Emerging mutations in envelope protein of SARS-CoV-2 and their effect on thermodynamic properties
  167. SnapShot: TP53 status and macrophages infiltration in TCGA-analyzed tumors
  168. Metformin and COVID‐19: A novel deal of an old drug
  169. GATA3 and stemness of high-grade serous ovarian carcinoma: novel hope for the deadliest type of ovarian cancer
  170. In situ tuning proangiogenic factor-mediated immunotolerance synergizes the tumoricidal immunity via a hypoxia-triggerable liposomal bio-nanoreactor
  171. Formononetin: Novel Deal for Androgenetic Alopecia
  172. Alkaline hydrogen peroxide pretreatment of bamboo culm for improved enzymatic release of reducing sugars using recombinant cellulases
  173. Molecular cloning, expression, purification, and functional characterization of SP‐22 gene from Bombyx mori
  174. Metformin: Ongoing Journey with Superdrug Revolution
  175. Rifabutin induced multinucleated hepatocytes in rats: an overview with future prospects
  176. Comparison of structures among Saccharomyces cerevisiae Grxs proteins
  177. Key Factors for Successful Protein Purification and Crystallization
  178. Structure analysis of yeast glutaredoxin Grx6 protein produced in Escherichia coli
  179. Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3
  180. Identification of new pathogenicity related to the gene encoding hypothetical protein in the gray mold fungus (Botrytis cinerea)
  181. Effect of Coriolus versicolor glucan on the stimulation of cytokine production in sarcoma-180-bearing mice
  182. Number of Cysteine Interactions with the Activity in GRX Family
  183. Important Factors Influencing Protein Crystallization
  184. Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe–2S] cluster