All Stories

  1. Computational study of chalcone-cyanopyrimidine hybrids as LSD1 inhibitors: Assessing the influence of FAD on binding affinity and inhibition
  2. Cracking the Sulfur Code: Garlic Bioactive Molecules as Multi-Target Blueprints for Drug Discovery
  3. Structural and Magneto-Optical Study on the Tetrahedrally Configured [CoCl2(1-allylimidazole)2] and Molecular Docking to Hypoxia-Inducible Factor-1α
  4. Thiazolidinedione‐Pyrimidine Hybrid as Potential Antidiabetic Agents and Their Cardioprotective Effect
  5. Targeting tubulin protein by novel 3,5-disubstituted-1,2,4-triazole analogues as anticancer agents: Design, synthesis, in-vitro, and in-silico studies
  6. Targeting Mitochondrial Drp1 Dynamics in Neurodegenerative Diseases: A Comprehensive Drug Design Approach Using AutoDock Vina‐GPU, DFT, and Molecular Dynamics Simulations
  7. Preclinical and Molecular Docking Insights into the Chemopreventive Role of Fenugreek Seed Extract in a Murine Model of Colorectal Cancer
  8. Insights into the Therapeutic Targets and Molecular Mechanisms of Eruca sativa Against Colorectal Cancer: An Integrated Approach Combining Network Pharmacology, Molecular Docking and Dynamics Simulation
  9. Monotherapy vs combination therapy evaluation of FDA-approved TKIs targeting PDGFR for the treatment of thyroid cancer
  10. The Dynamic Role of Curcumin in Mitigating Human Illnesses: Recent Advances in Therapeutic Applications
  11. Isolation, Characterization, and Anti‐Inflammatory Effects of β‐Sitosterol‐β‐D‐Glucoside from Hygrophila auriculata: Experimental Validation, Molecular Docking, and Molecular Dynamics Simulations
  12. The Dynamic Role of Curcumin in Mitigating Human Illnesses: Recent Advances in Therapeutic Applications
  13. Adsorption of methotrexate on hyaluronic acid: A comparative DFT and molecular dynamics simulation insights
  14. Solvent-free Synthesis, Anticancer Activity and In-Silico Studies of 7-Hydroxy-4-methylquinolin-2(1H)-one Analogues
  15. Deciphering Campylobacter jejuni DsbA1 protein dynamics in the presence of anti-virulent compounds: a multi-pronged computer-aided approach
  16. Eucalyptus-derived essential oils alleviate microbes and modulate inflammation by suppressing superoxide and elastase release
  17. Synthesis, molecular docking, and in vivo antidiabetic evaluation of new benzylidene-2,4-thiazolidinediones as partial PPAR-γ agonists
  18. Identification of potential inhibitors of HER2 targeting breast cancer—a structure-based drug design approach
  19. The role of Aedes aegypti in inducing/aggravating IgE-mediated allergic airway disease: extensive computational studies for identification of allergenic proteins
  20. Effectiveness of estrogen and its derivatives over dexamethasone in the treatment of COVID-19
  21. Development and Evaluation of Novel Encapsulated Isoeugenol-Liposomal Gel Carrier System for Methicillin-Resistant Staphylococcus aureus
  22. The Enhanced Affinity of WRKY Reinforces Drought Tolerance in Solanum lycopersicum L.: An Innovative Bioinformatics Study
  23. Formulation, In Vitro and In Silico Evaluations of Anise (Pimpinella anisum L.) Essential Oil Emulgel with Improved Antimicrobial Effects
  24. Dynamic and thermodynamic impact of L94A, W100A, and W100L mutations on the D2 dopamine receptor bound to risperidone
  25. Synthesis, DFT Analyses, Antiproliferative Activity, and Molecular Docking Studies of Curcumin Analogues
  26. The Structural, Biological, and In-Silico Profiling of Novel Capryloyl Tetra-Glucoside and Aliphatic Ester Constituents from the Abutilon indicum Offers New Perspectives on the Treatment of Pain and Inflammation
  27. Microsecond MD Simulations to Explore the Structural and Energetic Differences between the Human RXRα-PPARγ vs. RXRα-PPARγ-DNA
  28. A simple validated HPTLC method for the analysis of flavonoids and molecular docking studies of novel tri-terpenoid glycoside isolated from Carya illinoinensis bark with potential anti-inflammatory and antinociceptive activities
  29. Structural and energetic differences between the human RXRα–PPARγ heterodimer with and without DNA binding
  30. Synthesis and characterization of liquid crystalline poly(ether-ketone)s containing 1-benzyl-4-piperidone moiety as a pendent group
  31. In silico and in vitro studies on the inhibition of laccase activity by Ellagic acid: Implications in drug designing for the treatment of Cryptococcal infections
  32. Structural, functional, molecular, and biological evaluation of novel triterpenoids isolated from Helichrysum stoechas (L.) Moench. Collected from Mediterranean Sea bank: Misurata- Libya
  33. New Paradigms of Old Psychedelics in Schizophrenia
  34. Toward the Discovery of a Novel Class of Leads for High Altitude Disorders by Virtual Screening and Molecular Dynamics Approaches Targeting Carbonic Anhydrase
  35. Experimental and Theoretical Insights on Chemopreventive Effect of the Liposomal Thymoquinone Against Benzo[a]pyrene-Induced Lung Cancer in Swiss Albino Mice
  36. Lipid-Based Nanoparticle Formulation of Diallyl Trisulfide Chemosensitizes the Growth Inhibitory Activity of Doxorubicin in Colorectal Cancer Model: A Novel In Vitro, In Vivo and In Silico Analysis
  37. An Insight into the Structural Requirements and Pharmacophore Identification of Carbonic Anhydrase Inhibitors to Combat Oxidative Stress at High Altitudes: An In-Silico Approach
  38. The Effect of Liposomal Diallyl Disulfide and Oxaliplatin on Proliferation of Colorectal Cancer Cells: In Vitro and In Silico Analysis
  39. Safety, Stability, and Therapeutic Efficacy of Long-Circulating TQ-Incorporated Liposomes: Implication in the Treatment of Lung Cancer
  40. Green Synthesis of Oxoquinoline-1(2H)-Carboxamide as Antiproliferative and Antioxidant Agents: An Experimental and In-Silico Approach to High Altitude Related Disorders
  41. Synthesis and biological studies of oxoquinolines: Experimental and theoretical investigations
  42. Dynamic and thermodynamic impact of L94A, W100A, and W100L mutations on the D2 dopamine receptor bound to risperidone
  43. Targeting SARS-CoV-2 main protease by teicoplanin: A mechanistic insight by docking, MM/GBSA and molecular dynamics simulation
  44. Current Status of Novel Pyridine Fused Derivatives as Anticancer Agents: An Insight into Future Perspectives and Structure Activity Relationship (SAR)
  45. Host Cell and SARS-CoV-2-Associated Molecular Structures and Factors as Potential Therapeutic Targets
  46. An insight into the implications of estrogen deficiency and transforming growth factor β in antiepileptic drugs-induced bone loss
  47. In Vitro and In Silico Approaches for the Antileishmanial Activity Evaluations of Actinomycins Isolated from Novel Streptomyces smyrnaeus Strain UKAQ_23
  48. Elucidation of Teicoplanin Interactions with Drug Targets Related to COVID-19
  49. Isolation, characterization, anti-MRSA evaluation, and in-silico multi-target anti-microbial validations of actinomycin X2 and actinomycin D produced by novel Streptomyces smyrnaeus UKAQ_23
  50. On Ve-Degree and Ev-Degree Topological Properties of Hyaluronic Acid‐Anticancer Drug Conjugates with QSPR
  51. Effect of thymoquinone on high fat diet and STZ‐induced experimental type 2 diabetes: A mechanistic insight by in vivo and in silico studies
  52. Liposomal Ellagic Acid Alleviates Cyclophosphamide-Induced Toxicity and Eliminates the Systemic Cryptococcus neoformans Infection in Leukopenic Mice
  53. Inclusion complex of clausenidin with hydroxypropyl-β-cyclodextrin: Improved physicochemical properties and anti-colon cancer activity
  54. Topological indices andQSPR/QSARanalysis of some antiviral drugs being investigated for the treatment ofCOVID‐19 patients
  55. Nano-engineered nerolidol loaded lipid carrier delivery system attenuates cyclophosphamide neurotoxicity – Probable role of NLRP3 inflammasome and caspase-1
  56. Anti-inflammatory, analgesic and molecular docking studies of Lanostanoic acid 3-O-α-D-glycopyranoside isolated from Helichrysum stoechas
  57. An in-silico analysis of ivermectin interaction with potential SARS-CoV-2 targets and host nuclear importin α
  58. Design and synthesis of pyrazole–pyrazoline hybrids as cancer‐associated selective COX‐2 inhibitors
  59. Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
  60. Targeting SARS-CoV-2 Main Protease by Teicoplanin: A Mechanistic Insight by in Silico Studies
  61. Development and validation of a novel UPLC-MS/MS method for quantification of delafloxacin in plasma and aqueous humour for pharmacokinetic analyses
  62. Breaking Down the Barriers to a Natural Antiviral Agent: Antiviral Activity and Molecular Docking of Erythrina speciosa Extract, Fractions, and the Major Compound
  63. Rutin as promising drug for the treatment of Parkinson’s disease: an assessment of MAO-B inhibitory potential by docking, molecular dynamics and DFT studies
  64. Zerumbone Induces Apoptosis in Breast Cancer Cells by Targeting αvβ3 Integrin upon Co-Administration with TP5-iRGD Peptide
  65. Zerumbone binding to estrogen receptors: an in-silico investigation
  66. NSAIDs as potential treatment option for preventing amyloid β toxicity in Alzheimer’s disease: an investigation by docking, molecular dynamics, and DFT studies
  67. Ester Prodrugs of Ketoprofen: Synthesis, In Vitro Stability, In Vivo Biological Evaluation and In Silico Comparative Docking Studies Against COX-1 and COX-2
  68. Molecular interaction studies of green tea catechins as multitarget drug candidates for the treatment of Parkinson’s disease: computational and structural insights
  69. Anti-endotoxin effects of terpenoids fraction fromHygrophila auriculatain lipopolysaccharide-induced septic shock in rats
  70. Ginger with Alzheimer’s disease
  71. Synthesis and characterization of polyesters based on diethylketone moiety
  72. In-silico investigation of the structural requirements for the AMPA receptor antagonism by quinoxaline derivatives
  73. Oxasetin from Lophiostoma sp. of the Baltic Sea: Identification, in silico Binding Mode Prediction and Antibacterial Evaluation against Fish Pathogenic Bacteria
  74. Synthesis, characterization and biological activity of polyketones
  75. Structure-Based Design, Synthesis and Molecular Modeling Studies of Thiazolyl Urea Derivatives as Novel Anti-Parkinsonian Agents
  76. Molecular Docking and Prediction of Pharmacokinetic Properties of Dual Mechanism Drugs that Block MAO-B and Adenosine A2A Receptors for the Treatment of Parkinson's Disease
  77. Targeting Oxidative Stress Component in the Therapeutics of Epilepsy
  78. Structure-based design, synthesis, molecular docking, and biological activities of 2-(3-benzoylphenyl) propanoic acid derivatives as dual mechanism drugs
  79. Structure-based design, synthesis, and molecular modeling studies of 1-(benzo[d]thiazol-2-yl)-3-(substituted aryl)urea derivatives as novel anti-Parkinsonian agents
  80. Molecular docking studies of 1-(substituted phenyl)-3-(naphtha [1, 2-d] thiazol-2-yl) urea/thiourea derivatives with human adenosine A2A receptor
  81. Synthesis of quinoline attached-furan-2(3H)-ones having anti-inflammatory and antibacterial properties with reduced gastro-intestinal toxicity and lipid peroxidation
  82. Combating oxidative stress in epilepsy: Design, synthesis, quantum chemical studies and anticonvulsant evaluation of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides
  83. Design, synthesis and anti-Parkinsonian evaluation of 3-alkyl/aryl-8-(furan-2-yl)thiazolo[5,4-e][1,2,4]triazolo[1,5-c]pyrimidine-2(3H)-thiones against neuroleptic-induced catalepsy and oxidative stress in mice
  84. Synthesis and characterization of new unsaturated polyesters containing cyclopentapyrazoline moiety in the main chain
  85. ChemInform Abstract: Synthesis of Some Urea and Thiourea Derivatives of 3‐Phenyl/Ethyl‐2‐thioxo‐2,3‐dihydrothiazolo[4,5‐d]pyrimidine and Their Antagonistic Effects on Haloperidol‐Induced Catalepsy and Oxidative Stress in Mice.
  86. Synthesis of some urea and thiourea derivatives of 3-phenyl/ethyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidine and their antagonistic effects on haloperidol-induced catalepsy and oxidative stress in mice
  87. Neuroprotective effect of naphtha[1,2-d]thiazol-2-amine in an animal model of Parkinson's disease
  88. Synthesis of some novel N4-(naphtha[1,2-d]thiazol-2-yl)semicarbazides as potential anticonvulsants
  89. Synthesis of some urea and thiourea derivatives of naphtha[1,2-d]thiazol-2-amine as anti-Parkinsonian agents that cause neuroprotection against haloperidol-induced oxidative stress in mice
  90. Synthesis of Schiff bases of naphtha[1,2-d]thiazol-2-amine and metal complexes of 2-(2′-hydroxy)benzylideneaminonaphthothiazole as potential antimicrobial agents