Journament

Keyword Connections - in silico Keywords

Connection Type	Connection
Journals	Enzyme and microbial technology regulatory toxicology and pharmacology : rtp International journal of molecular sciences Journal of complementary & integrative medicine Journal of global health the american journal of cardiology eNeuro Archives of oral biology assay and drug development technologies biotechniques Canadian Urological Association journal = Journal de l'Association des urologues du Canada Retina (Philadelphia, Pa.)
Research Groups	No Research Group Connected
Bibliographies	[1] Molecular Docking and Cogitation Validate Mefenamic Acid Prodrugs as Human Cyclooxygenase-2 Inhibitor. [2] A simple approach to generate gene-expression profiles from subsets of cancer genomics data. [3] Molecular fingerprint-derived similarity measures for toxicological read-across: Recommendations for optimal use. [4] A comparison between mouse, in silico, and robot odor plume navigation reveals advantages of mouse odor-tracking. [5] Molecular docking and in silico studies of the physicochemical properties of potential inhibitors for the phosphotransferase system of Streptococcus mutans. [6] Clinical and Echocardiographic Predictors of Outcomes in Patients With Pulmonary Hypertension. [7] predictive toxicology: modeling chemical induced toxicological response combining circular fingerprints with random forest and support vector machine [8] screening of bioactive compounds of as potential inhibitors targeting HIF-1α/VEGF/GLUT-1 pathway against Breast Cancer. [9] Podium Session 4: Oncology - Prostate Monday, July 1, 2024 • 9:00-10:00. [10] Poster Session 2: Endourology, BPH (Part 1) Sunday, June 30, 2024 • 16:10-17:40. [11] Short-term reactivation of retinopathy of prematurity following primary ranibizumab treatment. [12] Burden of multiple high-risk factors in pregnancy before and after the universal two-child policy in Chinese women: An observational study. [13] In silico studies on quercetin, myricetin, and kaempferol in inhibiting TGF-β1 and galectin- 3 for cardiac fibrosis management. [14] Sulfonamide derivatives as inhibitors: in silico approach. [15] In silico synthesis of carbon molecular sieves for high-performance air separation [16] Enhanced fluorescence, morphological and thermal properties of CdSe/ZnS quantum dots incorporated in silicone resin. [17] Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties [18] Biological activities and in silico physico-chemical properties of 1,2,3-triazoles derived from natural bioactive alcohols [19] Synthesis, in vitro biological evaluation and in silico studies of certain arylnicotinic acids conjugated with aryl (thio)semicarbazides as a novel class of anti-leishmanial agents. [20] Novel fluorine-containing chiral hydrazide-hydrazones: Design, synthesis, structural elucidation, antioxidant and anticholinesterase activity, and in silico studies. [21] Femtosecond Laser-Induced Thermal Transport in Silicon with Liquid Cooling Bath. [22] Femtosecond Laser-Induced Thermal Transport in Silicon with Liquid Cooling Bath. [23] Current advances of triazole alcohols derived from fluconazole: Design, in vitro and in silico studies. [24] Exploiting chitosan and gold nanoparticles for antimycobacterial activity of in silico identified antimicrobial motif of human neutrophil peptide-1 [25] In vitro and in silico evaluation of Centaurea saligna (K.Koch) Wagenitz-An endemic folk medicinal plant. [26] TCPro: an In Silico Risk Assessment Tool for Biotherapeutic Protein Immunogenicity. [27] Synthesis, Biological and In Silico Evaluation of Pure Nucleobase-Containing Spiro (Indane-Isoxazolidine) Derivatives as Potential Inhibitors of MDM2–p53 Interaction [28] Synthesis, Biological Evaluation and In Silico Computational Studies of 7-Chloro-4-(1-1,2,3-triazol-1-yl)quinoline Derivatives: Search for New Controlling Agents against (Lepidoptera: Noctuidae) Larvae. [29] In silico analysis of drought responsive transposons and transcription factors in Solanum tuberosum L. [30] In Silico Prediction of Cell Wall Remodeling Genes in Tomato, Banana, Melon and Grape [31] Structural basis of development of multi-epitope vaccine against Middle East respiratory syndrome using in silico approach [32] In silico analysis of drought responsive transposons and transcription factors in Solanum tuberosum L. [33] In silico analysis of drought responsive transposons and transcription factors in Solanum tuberosum L. [34] Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach [35] In Silico Screening of Aptamers Configuration against Hepatitis B Surface Antigen [36] Structural basis of development of multi-epitope vaccine against Middle East respiratory syndrome using in silico approach [37] In Silico Prediction of Cell Wall Remodeling Genes in Tomato, Banana, Melon and Grape [38] In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori strains. [39] A non-dominated sorting Differential Search Algorithm Flux Balance Analysis (ndsDSAFBA) for in silico multiobjective optimization in identifying reactions knockout. [40] Identification of enzyme(s) capable of degrading endosulfan and endosulfan sulfate using in silico techniques. [41] In silico generation of laccase mutants from lacc 6 of Pleurotus ostreatus and bacterial enzymes [42] In silico Analysis for Laccase-mediated Bioremediation of the Emerging Pharmaceutical Pollutants [43] Systematic Review on Cytotoxic and Anticancer Potential of N-Substituted Isatins as Novel Class of Compounds Useful in Multidrug-Resistant Cancer Therapy: In Silico and In Vitro Analysis. [44] Crassocephalum rubens, a leafy vegetable, suppresses oxidative pancreatic and hepatic injury and inhibits key enzymes linked to type 2 diabetes: An ex vivo and in silico study. [45] Cloning of acetyl-CoA acetyltransferase gene from Halomonas elongata BK-AG18 and in silico analysis of its gene product [46] In silico, in vitro and in vivo analysis of putative virulence factors identified in large clostridial toxin-negative, binary toxin producing C. difficile strains. [47] In silico discovery of potential drug molecules to improve the treatment of isoniazid-resistant Mycobacterium tuberculosis [48] Discovery of membrane permeability, pharmacokinetics properties and mechanism of action for analogs of ethylenediamine-n,n′-di-2-(3-cyclohexyl)propionic acid and 1,3-propandiamine-n,n′-di-2-(3-cyclohexyl)propionic acid with antiproliferative activity using in vitro and in silico methods [49] In silico identification of natural products with anticancer activity using a chemo-structural database of Brazilian biodiversity. [50] Model-based in silico analysis of the PI3K/Akt pathway: the elucidation of cross-talk between diabetes and breast cancer [51] Sibe: a computation tool to apply protein sequence statistics to predict folding and design in silico. [52] In silico prediction of drug-induced developmental toxicity by using machine learning approaches. [53] Multi-targeted potential of Pittosporum senacia Putt.: HPLC-ESI-MS analysis, in silico docking, DNA protection, antimicrobial, enzyme inhibition, anti-cancer and apoptotic activity. [54] 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. [55] Suburbia reimagined: Asian immigration and the form and function of faith-based institutions in Silicon Valley [56] [Interference research of umbilical cord mesenchymal stem cells on the pulmonary fibrosis in silicosis rats]. [57] A click chemistry approach for the synthesis of cyclic ureido tethered coumarinyl and 1-aza coumarinyl 1,2,3-triazoles as inhibitors of Mycobacterium tuberculosis H37Rv and their in silico studies [58] In silico determination of intracellular glycosylation and phosphorylation sites in human selectins: implications for biological function. [59] In Silico Methods in Antibody Design. [60] Evaluation of drug candidature: In silico ADMET, binding interactions with CDK7 and normal cell line studies of potentially anti-breast cancer enamidines. [61] Design, synthesis, in silico and in vitro antimicrobial screenings of novel 1,2,4-triazoles carrying 1,2,3-triazole scaffold with lipophilic side chain tether. [62] Synthesis, computational quantum chemical study, in silico ADMET and molecular docking analysis, in vitro biological evaluation of a novel sulfur heterocyclic thiophene derivative containing 1,2,3-triazole and pyridine moieties as a potential human topoisomerase IIα inhibiting anticancer agent [63] In silico and BSA binding study of some new biological analogs of 1,2,4-triazolependant with azinane through microwave and conventional synthesis. [64] Biological activities and in silico physico-chemical properties of 1,2,3-triazoles derived from natural bioactive alcohols [65] IN SILICO STUDY FOR INVESTIGATING AND PREDICTING THE ACTIVITIES OF 1,2,4-TRIAZOLE DERIVATIES AS POTENT ANTI-TUBERCULAR AGENTS [66] Leucine/Pd-loaded (5,5) single-walled carbon nanotube matrix as a novel nanobiosensors for in silico detection of protein. [67] Structural, functional, and evolutionary analysis of late embryogenesis abundant proteins (LEA) in Triticum aestivum: A detailed molecular level biochemistry using in silico approach [68] Exonic Splicing Mutations Are More Prevalent than Currently Estimated and Can Be Predicted by Using In Silico Tools. [69] Exploring biological efficacy of coumarin clubbed thiazolo[3,2-b][1,2,4]triazoles as efficient inhibitors of urease: A biochemical and in silico approach. [70] Differential tissue growth and cell adhesion alone drive early tooth morphogenesis: An ex vivo and in silico study. [71] In silico study of α-γ phase transformation in hexahydro-1,3,5-trinitro-1,3,5-triazine [72] Identification, structure-activity relationship and in silico molecular docking analyses of five novel angiotensin I-converting enzyme (ACE)-inhibitory peptides from stone fish (Actinopyga lecanora) hydrolysates. [73] The CYSMA web server: an example of integrative tool for in silico analysis of missense variants identified in Mendelian disorders. [74] Design of a Repellent Against Aedes aegypti (Diptera: Culicidae) Using in silico Simulations With AaegOBP1 Protein. [75] Preformulation Studies and Enabling Formulation Selection for an Insoluble Compound at Preclinical Stage-From In Vitro, In Silico to In Vivo. [76] Utilization of In Vitro, In Vivo and In Silico Tools to Evaluate the pH-Dependent Absorption of a BCS Class II Compound and Identify a pH-Effect Mitigating Strategy. [77] In silico model-based characterization of metabolic response to harsh sparging stress in fed-batch CHO cell cultures. [78] In silico structural and functional characterization and phylogenetic study of alkaline phosphatase in bacterium, Rhizobium leguminosarum (Frank 1879). [79] In silico and in vitro analysis of quorum quenching active phytochemicals from the ethanolic extract of medicinal plants against quorum sensing mediated virulence factors of acinetobacter baumannii [80] Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation [81] Combining in silico and in vitro approaches to identification of potent inhibitor against phospholipase A2 (PLA2). [82] Optimization study towards more potent thiazolidine-2,4-dione IKK-β modulator: Synthesis, biological evaluation and in silico docking simulation [83] Possible role of rivoglitazone thiazolidine class of drug as dual-target therapeutic agent for bacterial infections: An in silico study [84] Synthesis, characterization, in silico and antifungal studies of thiazolidine analogues [85] Toxicities of 4,5-Dihydroisoxazoles Against Root-Knot Nematodes and in Silico Studies of Their Modes of Action. [86] Synthesis of new indazole based dual inhibitors of α-glucosidase and α-amylase enzymes, their in vitro, in silico and kinetics studies. [87] In Vitro Dissolution and in Silico Modeling Shortcuts in Bioequivalence Testing. [88] Synthesis, in vitro and in silico studies of S-alkylated 5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiols as cholinesterase inhibitors. [89] A comparison between mouse, in silico, and robot odor plume navigation reveals advantages of mouse odor-tracking. [90] Purification of fucoxanthin from Sargassum wightii Greville and understanding the inhibition of angiotensin 1-converting enzyme: An in vitro and in silico studies. [91] In silico unravelling pathogen-host signaling cross-talks via pathogen mimicry and human protein-protein interaction networks. [92] In silico spectral libraries by deep learning facilitate data-independent acquisition proteomics [93] Detection of typical defects in silicon photovoltaic modules and application for plants with distributed MPPT configuration [94] Deficiency in silicon transporter lsi1 compromises inducibility of anti-herbivore defense in rice plants [95] Synthesis, in vitro biological evaluation and in silico molecular docking studies of novel β-lactam-anthraquinone hybrids. [96] Engineering of Naproxen Loaded Polymer Hybrid Enteric Microspheres for Modified Release Tablets: Development, Characterization, in silico Modelling and in vivo Evaluation. [97] Ultrathin silicon oxide prepared by in-line plasma-assisted N<inf>2</inf>O oxidation (PANO) and the application for n-type polysilicon passivated contact [98] Correction to: Structure-based in silico screening identifies a potent ebolavirus inhibitor from a traditional chinese medicine library (Journal of Medicinal Chemistry (2019) 62:6 (2928-2937) DOI: 10.1021/acs.jmedchem.8b01328) [99] Combination of HDX-MS and in silico modeling to study enzymatic reactivity and stereo-selectivity at different solvent conditions. [100] Degradation of the anticancer drug flutamide by solar photo-Fenton treatment at near-neutral pH: Identification of transformation products and in silico (Q)SAR risk assessment. [101] In silico structure-based design and synthesis of novel anti-RSV compounds.