Journament

Keyword Connections - Docking Keywords

Connection Type	Connection
Journals	Organic letters European journal of medicinal chemistry Pharmaceuticals (Basel, Switzerland) Bioorganic chemistry Heliyon PloS one current pharmaceutical biotechnology Molecules (Basel, Switzerland) Journal of medicinal chemistry ACS omega Frontiers in chemistry Molecular diversity Computational biology and chemistry combinatorial chemistry & high throughput screening Microbial pathogenesis Applied and environmental microbiology Chemical biology & drug design current computer-aided drug design computational and structural biotechnology journal The New England journal of medicine Journal of biomolecular structure & dynamics journal of biological inorganic chemistry : jbic : a publication of the society of biological inorganic chemistry IEEE Transactions on Neural Networks and Learning Systems Parasites & vectors Translational Psychiatry American journal of ophthalmology journal of materials chemistry b SpringerPlus The ISME journal jama oncology drug development research journal of molecular recognition : jmr Nature Immunology assay and drug development technologies Zhonghua bing li xue za zhi = Chinese journal of pathology Italian journal of dermatology and venereology
Research Groups	No Research Group Connected
Bibliographies	[1] Molecular Docking and Cogitation Validate Mefenamic Acid Prodrugs as Human Cyclooxygenase-2 Inhibitor. [2] In vitro Biological Estimation of [1,2,3]triazolo[4,5-d]pyrimidine Derivatives as Anti-breast Cancer Agent: DFT, QSAR and Docking Studies. [3] Copper-Catalyzed Three-Component Reaction of Alkynes, TMSN, and Ethers: Regiocontrollable Synthesis of N- and N-Oxyalkylated 1,2,3-Triazoles. [4] Evaluation of drug candidature: In silico ADMET, binding interactions with CDK7 and normal cell line studies of potentially anti-breast cancer enamidines. [5] 'Stealth' corporate innovation: an emerging threat for therapeutic drug development. [6] Horizontal acquisition of a patchwork Calvin cycle by symbiotic and free-living Campylobacterota (formerly Epsilonproteobacteria). [7] Identification of 2CS-CHX operon signature of chlorhexidine tolerance among . [8] Immunization with proline rich region of pneumococcal surface protein A has no role in protection against Streptococcus pneumoniae serotype 19F. [9] Confounding by indication of the safety of de-escalation in community-acquired pneumonia: A simulation study embedded in a prospective cohort. [10] Design And Molecular Docking Studies Of Some 2, 3 Di-Substituted Quinazolin-4-One Analogues Against Staphylococcus aureus UDG. [11] Synthesis, anti-inflammatory, bactericidal activities and docking studies of novel 1,2,3-triazoles derived from ibuprofen using click chemistry. [12] Novel histone deacetylase inhibitors bearing a 4-piperidin-4-yl-triazole scaffold as antitumor agents. [13] 1,2,4-Triazole-based benzothiazole/benzoxazole derivatives: Design, synthesis, p38α MAP kinase inhibition, anti-inflammatory activity and molecular docking studies. [14] Synthesis, Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors. [15] Triazole Bridged Flavonoid Dimers as Potent, Nontoxic, and Highly Selective Breast Cancer Resistance Protein (BCRP/ABCG2) Inhibitors. [16] Oral Selinexor-Dexamethasone for Triple-Class Refractory Multiple Myeloma. [17] Recent advances in the synthetic and medicinal perspective of quinolones: A review. [18] Chitosan/hydroxyapatite composite bone tissue engineering scaffolds with dual and decoupled therapeutic ion delivery: copper and strontium. [19] Novel fatty acid-thiadiazole derivatives as potential antimycobacterial agents. [20] Antifungal effects of a 1,3,4-thiadiazole derivative determined by cytochemical and vibrational spectroscopic studies. [21] Potential inhibitors of the enzyme acetylcholinesterase and juvenile hormone with insecticidal activity: study of the binding mode via docking and molecular dynamics simulations. [22] Human Albumin Impairs Amyloid β-peptide Fibrillation Through its C-terminus: From docking Modeling to Protection Against Neurotoxicity in Alzheimer's disease. [23] Energy Disaggregation via Deep Temporal Dictionary Learning. [24] Polypharmacology Approach Against Migraine with Aura and Brain Edema for the Development of an Efficient Inhibitor and its Analogues. [25] A systematic review of the role of the nociceptin receptor system in stress, cognition, and reward: relevance to schizophrenia. [26] Reply. [27] Computational Druglikeness Assessment, Synthesis, Characterization and in vitro Biological Activity Evaluation of some Novel Mixed Metal Complexes of 2-(butan-2-ylidene) hydrazinecarbothioamide. [28] Synthesis, Antibacterial Activity and Molecular Docking of Phospholidinones in Stigmastane Series. [29] Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking. [30] New 4-phenylcoumarin derivatives as potent 3C protease inhibitors: Design, synthesis, anti-HAV effect and molecular modeling. [31] A study of Pt(II)-phenanthroline complex interactions with double-stranded and G-quadruplex DNA by ESI-MS, circular dichroism, and computational docking. [32] synaptic vesicle tethering and the cav2.2 distal c-terminal [33] cloning, functional characterization and catalytic mechanism of a bergaptol o-methyltransferase from peucedanum praeruptorum dunn [34] improved shoot regeneration, salinity tolerance and reduced fungal susceptibility in transgenic tobacco constitutively expressing pr-10a gene [35] thymol, a monoterpene, inhibits aldose reductase and high-glucose-induced cataract on isolated goat lens [36] repositioning fda drugs as potential cruzain inhibitors from trypanosoma cruzi: virtual screening, in vitro and in vivo studies [37] Design and synthesis of novel isatin-based derivatives targeting cell cycle checkpoint pathways as potential anticancer agents. [38] New nimesulide derivatives with amide/sulfonamide moieties: Selective COX-2 inhibition and antitumor effects. [39] Molecular modeling studies demonstrate key mutations that could affect the ligand recognition by influenza AH1N1 neuraminidase [40] Diabetic wound healing of aloe vera major phytoconstituents through TGF-β1 suppression docking, molecular dynamic simulation and pharmacokinetic studies. [41] Virtual screening, molecular docking, molecular dynamics, and MM-GBSA approaches identify prospective fructose-1,6-bisphosphatase inhibitors from pineapple for diabetes management. [42] Immune-mediated oral mucosal pathology: a comprehensive review and update for clinicians. Part I. [43] In Silico Prediction of Cytoadherence Inhibitors That Disrupt Interaction between gC1qR-DBLβ12 Complex. [44] Introduction of protein vaccine candidate based on AP65, AP33, and α-actinin proteins against Trichomonas vaginalis parasite: an immunoinformatics design. [45] [Clinicopathological characteristics and immune microenvironment of breast squamous cell carcinoma]. [46] New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors [47] Constrained Photophysics of 5,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one in the Bioenvironment of Serum Albumins: A Spectroscopic Endeavour Supported by Molecular Docking Analysis. [48] Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties [49] Synthesis, Molecular docking and fluorescent properties of novel (E)-3-(9-ethyl-9h-carbazol-3yl)-1-phenylprop-2-en-1-ones [50] Design, synthesis, molecular docking and antibacterial evaluation of novel N-(6, 11-dioxo-dihydro-5h-benzo [B] carbazol-2yl) benzamide derivatives as potent antibacterial agents [51] Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study. [52] Synthesis, biological evaluation and docking studies of chalcone and flavone analogs as antioxidants and acetylcholinesterase inhibitors [53] A Comparative Study between Co- and CoFe<inf>2</inf>O<inf>4</inf>-NPs Catalytic Activities in Synthesis of Flavone Derivatives; Study of Their Interactions with Estrogen Receptor by Molecular Docking [54] Corrigendum: Ursolic Acid Hydrazide Based Organometallic Complexes: Synthesis, Characterization, Antibacterial, Antioxidant, and Docking Studies [55] FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine. [56] Fluorescence and Docking Studies of the Interaction between Human Serum Albumin and Pheophytin [57] Insight into the interaction of benzothiazole tethered triazole analogues with human serum albumin: Spectroscopy and molecular docking approaches. [58] Biological Evaluation and Docking Studies of Synthetic Oleanane-type Triterpenoids. [59] Synthesis, antitumor activity, molecular docking and DFT study of Novel pyrimidiopyrazole derivatives. [60] Novel Pyrazoloquinolin-2-ones: Design, synthesis, docking studies, and biological evaluation as antiproliferative EGFR-TK inhibitors. [61] Regioselective synthesis of novel antibacterial pyrazole-benzofuran hybrids: 2D NMR spectroscopy studies and molecular docking [62] N-[2-[(3-Chlorophenyl)amino]-phenyl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide: Synthesis, Crystal Structure, Molecular Docking and Biological Activities [63] Indole hybridized diazenyl derivatives: synthesis, antimicrobial activity, cytotoxicity evaluation and docking studies. [64] Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors [65] Synthesis, structural characterization, electronic structure calculation, molecular docking study and biological activity of triorganotin(IV) complexes of schiff base (E)-4-amino-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1H-1,2,4-triazole-5(4H)-thione) [66] Investigation on 4-amino-5-substituent-1,2,4-triazole-3-thione Schiff bases an antifungal drug by characterization (spectroscopic, XRD), biological activities, molecular docking studies and electrostatic potential (ESP) [67] Spectroscopic, chemical reactivity, molecular docking investigation and QSAR analyses of (2E)‑1‑(3‑bromo‑2‑thienyl)‑3‑(2,5‑dimethoxyphenyl)prop‑2‑en‑1‑one [68] A Diversified Spectrometric and Molecular Docking Technique to Biophysical Study of Interaction between Bovine Serum Albumin and Sodium Salt of Risedronic Acid, a Bisphosphonate for Skeletal Disorders [69] The Anticancer Activities of Some Nitrogen Donor Ligands Containing bis-Pyrazole, Bipyridine, and Phenanthroline Moiety Using Docking Methods [70] Molecular Docking based analysis to elucidate the DNA Topoisomerase IIβ as the potential target for the Ganoderic acid, A natural therapeutic agent in cancer therapy. [71] Biscoumarin-1,2,3-triazole hybrids as novel anti-diabetic agents: Design, synthesis, in vitro α-glucosidase inhibition, kinetic, and docking studies. [72] Molecular docking of viscosine as a new lipoxygenase inhibitor isolated from dodonaea viscosa [73] Interactions of cephalexin with bovine serum albumin: displacement reaction and molecular docking [74] EROS-DOCK: Protein-Protein Docking Using Exhaustive Branch-and-Bound Rotational Search. [75] Certain 4-iminoflavones derivatives: Synthesis, docking studies, antiasthmatic and antimicrobial agents [76] Crystal structure, Hirshfeld analysis and mol-ecular docking with the vascular endothelial growth factor receptor-2 of (3)-5-fluoro-3-(hy-droxy-imino)-indolin-2-one. [77] Synthesis, characterization, biological evaluation and docking studies of organo phosphorous pyrazole5-one derivatives of Isatine Mannich bases derivatives of sortase A staphylococcus inhibitors [78] Binding between Saikosaponin C and Human Serum Albumin by Fluorescence Spectroscopy and Molecular Docking [79] Simultaneous clustering analysis with molecular docking in network pharmacology for type 2 antidiabetic compounds [80] Design, synthesis, and molecular docking study of new piperazine derivative as potential antimicrobial agents. [81] Synthesis, anticancer activity and molecular docking studies on 1,2-diarylbenzimidazole analogues as anti-tubulin agents. [82] Metabolite profiling of Cycas revoluta leaf extract and docking studies on alpha-glucosidase inhibitory molecular targets by phytochemicals [83] Multi-targeted potential of Pittosporum senacia Putt.: HPLC-ESI-MS analysis, in silico docking, DNA protection, antimicrobial, enzyme inhibition, anti-cancer and apoptotic activity. [84] Synthesis, biological activities, and docking studies of d-pantolactone derivatives as novel FAS inhibitors. [85] Indole-derived water-soluble N, O bi-dentate ligand-based mononuclear transition metal complexes: in silico and in vitro biological screening, molecular docking and macromolecule interaction studies. [86] Comparative study of two cephalosporin antibiotics binding to calf thymus DNA by multispectroscopy, electrochemistry, and molecular docking. [87] Synthesis, structure, DFT calculations, electrochemistry, fluorescence, DNA binding and molecular docking aspects of a novel oxime based ligand and its palladium(II) complex [88] Pyrazole[3,4-d]pyridazine derivatives: Molecular docking and explore of acetylcholinesterase and carbonic anhydrase enzymes inhibitors as anticholinergics potentials. [89] Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations study. [90] Molecular Docking and Cogitation Validate Mefenamic Acid Prodrugs as Human Cyclooxygenase-2 Inhibitor. [91] Potent combretastatin A-4 analogs containing 1,2,4-triazole: Synthesis, antiproliferative, anti-tubulin activity, and docking study. [92] In vitro Biological Estimation of [1,2,3]triazolo[4,5-d]pyrimidine Derivatives as Anti-breast Cancer Agent: DFT, QSAR and Docking Studies. [93] Antioxidant and anti-infective potential of ethanolic extract of eriobotrya bengalensis (Roxb.) Hook. F.: Phytochemicals investigation and molecular docking studies [94] Docking structurally similar analogues: Dealing with the false-positive. [95] Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets. [96] Docking-based inverse virtual screening strategy for identification of novel protein targets for triclosan. [97] Viscosine as a Potent and Safe Antipyretic Agent Evaluated by Yeast-Induced Pyrexia Model and Molecular Docking Studies. [98] Design And Molecular Docking Studies Of Some 2, 3 Di-Substituted Quinazolin-4-One Analogues Against Staphylococcus aureus UDG. [99] Synthesis, anti-inflammatory, bactericidal activities and docking studies of novel 1,2,3-triazoles derived from ibuprofen using click chemistry. [100] A New Class of β-Pyrrolidino-1,2,3-Triazole Derivatives as β-Adrenergic Receptor Inhibitors: Synthesis, Pharmacological, and Docking Studies. [101] Design, click synthesis, anticancer screening and docking studies of novel benzothiazole-1,2,3-triazoles appended with some bioactive benzofused heterocycles