Campanula cymbalaria var. papillosa: Phytochemical Profile, Antioxidant Activities, Enzyme Inhibitory Effects, Antibacterial Activity, Cytotoxicity, and Molecular Docking Analysis ,2026
Integrated chemical and biological analysis of Astragalus aintabicus Boiss extracts using chromatographic profiling, in vitro assays, and in Silico modeling ,2025
Chemical exploration of different extracts from Phytolacca americana leaves and their potential utilization for global health problems: in silico and network pharmacology validation ,2024
Exploration of natural compounds as potential negative allosteric modulators of glucagon-like peptide-1 receptor through molecular docking and dynamics simulation coupled with MM-GBSA binding energy calculations ,2026
Exogenous nitric oxide induces production of phenolic compounds, enzyme inhibitory properties and antioxidant capacity through activating the phenylpropanoid pathway in sage (Salvia officinalis) leaves ,2025
Synthesis, Conformational Analysis, Antioxidant and Enzyme Inhibition Activity, Molecular Docking and DFT Studies of New Chiral Hydrazide-Hydrazone Derivatives ,2025
Chemical composition and biological activity of lemongrass volatile oil and n-Hexane extract: GC/MS analysis, in vitro and molecular modelling studies ,2025
Bioactive agents from Parkia biglobosa (Jacq.) R.Br. ex G. Don bark extracts for health promotion and nutraceutical uses ,2024
Using In Vitro and In Silico Analysis to Investigate the Chemical Profile and Biological Properties of Polygonum istanbulicum Extracts ,2024
Characterization of the chemical profiles and biological activities of Thesium bertramii Azn. Extracts using a combination of in vitro, in silico, and network pharmacology methods ,2025
Antioxidant and Amylase, Glucosidase, and Tyrosinase Enzymes Inhibitory Potential of Genistein and 11‐α‐Hydroxyerysotrine Supported by In Silico and Network Pharmacology Approaches ,2025
GC–MS Profiling, Antioxidant, Enzyme Inhibition, Molecular Docking, and ADME Investigation of the n ‐Hexane Extract and the Essential Oil of Platycladus orientalis (L.) Franco Fruits ,2026
LC-MS-qTOF analysis and biological evaluation of Chrozophora tinctoria extracts: A novel attempt at integrating in vitro and in silico approaches ,2025
Utilizing olive leaves as a rich source of multifunctional bioactive compounds to fight oxidative stress, Alzheimer’s disease, diabetes, and cancer using in vitro , in silico , and bioinformatics techniques ,2025
Bioinformatic and experimental approaches to uncover the bio-potential of Mercurialis annua extracts based on chemical constituents ,2025
Comprehensive chemical profiling, bioactivity evaluation, and computational modelling of various extracts from Cleome ornithopodioides L ,2025
Revealing a Gold Mine of Bioactive Compounds From Natural Sources Using In Vitro, In Silico, and Network Pharmacology: A Case Study on Cachrys cristata ,2025
Assessing the bioactive potential of Lysimachia atropurpurea extracts using HPLC-MS/MS, in vitro and in silico analysis ,2025
Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and molecular dynamics studies ,2020
Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10 ,2019
Examining the stability of binding modes of the co-crystallized inhibitors of human HDAC8 by molecular dynamics simulation ,2019
Synthesis, molecular modeling, in vivo study, and anticancer activity of 1,2,4‐triazole containing hydrazide–hydrazones derived from (S)‐naproxen ,2019
Homology modeling of human histone deacetylase 10 and design of potential selective inhibitors ,2019
The design of potent HIV-1 integrase inhibitors by a combined approach of structure-based virtual screening and molecular dynamics simulation ,2019
Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6 ,2018
Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening, molecular docking and dynamics simulation studies ,2018
Closure of skin incision by dual wavelength (980 and 1064 nm) laser application ,2017
Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening, ADMET prediction and molecular dynamics simulation assay ,2017
Virtual discovery of a hetero-cyclic compound from the Universal Natural Product Database (UNPD36) as a potential inhibitor of interleukin-33: molecular docking and dynamic simulations ,2021
Potential inhibitors of methionine aminopeptidase type II identified via structure-based pharmacophore modeling ,2021
Elucidation of partial activation of cannabinoid receptor type 2 and identification of potential partial agonists: Molecular dynamics simulation and structure-based virtual screening ,2022
Differential Metabolomic Fingerprinting of the Crude Extracts of Three Asteraceae Species with Assessment of Their In Vitro Antioxidant and Enzyme-Inhibitory Activities Supported by In Silico Investigations ,2022
Identification of potential antagonists of CRF1R for possible treatment of stress and anxiety neuro-disorders using structure-based virtual screening and molecular dynamics simulation ,2022
Chemical and Biological Investigations of Allium scorodoprasum L. Flower Extracts ,2022
Unravelling the chemical profile, antioxidant, enzyme inhibitory, cytotoxic potential of different extracts from Astragalus caraganae ,2023
Bacteriophage genome engineering for phage therapy to combat bacterial antimicrobial resistance as an alternative to antibiotics ,2023
Chemical characterization and biological abilities of Anthocleista djalonensis collected from two locations of Ivory Coast ,2023
Chemical characterization of Glaucosciadum cordifolium extracts obtained by different extraction techniques and their biopharmaceutical effects ,2023
Comparative Study on the Chemical Profile, Antioxidant Activity, and Enzyme Inhibition Capacity of Red and White Hibiscus sabdariffa Variety Calyces ,2023
Appraisals on the chemical characterization and biological potentials of Ranunculus constantinopolitanus extracts using chromatographic, computational, and molecular network approaches ,2023
LC‐MS/MS and GC‐MS profiling, antioxidant, enzyme inhibition, and antiproliferative activities of Thymus leucostomus Hausskn. & Velen. extracts ,2023
Uncovering chemical profiles, biological potentials, and protection effect against ECM destruction in H2O2‐treated HDF cells of the extracts of Stachys tundjeliensis ,2023
Combining chemical profiles and biological abilities of different extracts from Tanacetum nitens (Boiss. & Noë) Grierson using network pharmacology ,2024
Discovery of novel inhibitors of histone deacetylase 6: Structure-based virtual screening, molecular dynamics simulation, enzyme inhibition and cell viability assays ,2024
Discovery of natural dual inhibitors from ZINC database targeting thymic stromal lymphopoietin (TSLP) and interleukin-33 (IL-33) as potential anti-allergy agents ,2024
Computational analysis of natural compounds as potential phosphodiesterase type 5A inhibitors ,2024
Integrated Computer-Aided Drug Design: Advances in GPCR Natural Ligand Discovery ,2025
Extractions of aerial parts of Hippomarathrum scabrum with conventional and green methodologies: Chemical profiling, antioxidant, enzyme inhibition, and anti‐cancer effects ,2024
Linking the chemical profile with the biological activities of Reaumuria alternifolia from Turkish flora ,2025
A comparative study on chemical profiles and biological activities of different extracts of three Verbascum species from Turkey: In vitro, in silico and network pharmacological approaches ,2023
Chemical characterization of three different extracts obtained from Chelidonium majus L. (Greater celandine) with insights into their in vitro, in silico and network pharmacological properties ,2024
Elucidation of the Microwave‐Assisted Synthesis and Characterization of Heteronuclear Complexes of Bisbenzimidazole Derivatives and Their Biological Activities by In Vitro and In Silico Assays ,2024
Insights into the structure and activation mechanism of some class B1 GPCR family members ,2024
Cytotoxic, antioxidant, and enzyme inhibitory activities of Centaurea stapfiana extracts and their HPLC-ESI-QTOF-MS profiles: Insights into an unexplored Centaurea species ,2024
A multifunctional natural treasure based on a “one stone, many birds” strategy for designing health-promoting applications: Tordylium apulum ,2024
Computer‐Aided Design of VEGFR‐2 Inhibitors as Anticancer Agents: A Review ,2025
Pronounced Anti‐Inflammatory and Analgesic Activities of a Spirofuran‐Triazolo[1,5‐a]pyrimidine Scaffold Available via Biginelli Multicomponent Condensation ,2024
Comprehensive metabolite and biological profile of “Sulmona Red Garlic” ecotype’s aerial bulbils ,2024
Chemical profiling of Anthriscus cerefolium (L.) Hoffm., biological potential of the herbal extract, molecular modeling and KEGG pathway analysis ,2024
Constituents of alexander’s celery (Smyrnium olusatrum) extracts and their antioxidant, enzyme inhibitory and anticancer effects based on in vitro, in silico and network pharmacology methods ,2024
Exploring the composition and potential uses of four hops varieties through different extraction techniques ,2024
Antioxidant, enzyme inhibition, toxicity, and molecular docking analysis of Melaleuca cajuputi leaf extract and fractions ,2024
Valorization of hydro-distillate of fruit peels of Citrus paradisi macfad. Cultivar. Foster: Chemical profiling, antioxidant evaluation and in vitro and in silico enzyme inhibition studies ,2024
Exploring Chemical Composition, Antioxidant, Enzyme Inhibitory and Cytotoxic Properties of Glaucium acutidentatum Hausskn. & Bornm. from Turkey Flora: A Novel Source of Bioactive Agents to Design Functional Applications ,2024
Screening for Chemical Characterization and Pharmacological Properties of Different Extracts from Nepeta italica ,2023
Phenolic compounds as potential adenosine deaminase inhibitors: molecular docking and dynamics simulation coupled with MM-GBSA calculations ,2023
Evaluation of the Potential Therapeutic Properties of Liquidambar orientalis Oil ,2023
Integration of chemical characterization, biological activities, and network pharmacology of different extracts from Syzygium rowlandii ,2023
Computational analysis of drug resistance of taxanes bound to human β-tubulin mutant (D26E) ,2023
Phenolic compounds as histone deacetylase inhibitors: binding propensity and interaction insights from molecular docking and dynamics simulations ,2023
In the quest for histone deacetylase inhibitors: current trends in the application of multilayered computational methods ,2023
Chemical characterization of different extracts from Artemisia annua and their antioxidant, enzyme inhibitory and anti‐inflammatory properties ,2023
In Vitro and Molecular Docking Evaluation of Larvicidal Effects of Essential Oils of Five Aromatic Plants on the Fall Armyworm Spodoptera frugiperda JE. Smith (Lepidoptera: Noctuidae) from Ivory Coast ,2023
Binding of a positive allosteric modulator CDPPB to metabotropic glutamate receptor type 5 (mGluR5) probed by all-atom molecular dynamics simulations ,2022
New Biological and Chemical Evidences of Two Lamiaceae Species (Thymbra capitata and Thymus sipyleus subsp. rosulans): In Vitro, In Silico and Ex Vivo Approaches ,2022
A multifunctional key to open a new window on the path to natural resources-lessons from a study on chemical composition and biological capability of Paeonia mascula L. from Turkey ,2023
Chemical profile, antiproliferative and antibacterial activities and docking studies of essential oil and hexane fraction of hydrosol from fresh leaf of Plectranthus amboinicus (Lour.) Spreng. ,2023
Essential Oils Composition and Biological Activity of Chamaecyparis obtusa, Chrysopogon nigritanus and Lavandula coronopifolia Grown Wild in Sudan ,2023
Adding New Scientific Evidences on the Pharmaceutical Properties of Pelargonium quercetorum Agnew Extracts by Using In Vitro and In Silico Approaches ,2023
Novel Signposts on the Road from Natural Sources to Pharmaceutical Applications: A Combinative Approach between LC-DAD-MS and Offline LC-NMR for the Biochemical Characterization of Two Hypericum Species (H. montbretii and H. origanifolium) ,2023
Chemical Characterization and Multidirectional Biological Effects of Different Solvent Extracts of Arum elongatum: in Vitro and in Silico Approaches ,2023
Unlocking the functional potential of Nitraria schoberi extracts using chemical fingerprinting, biological efficiencies, in silico and network pharmacological approaches ,2024
Biological and computational evaluation of novel benzofuranyl derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors ,2024
