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
Unveiling the potential antibacterial mechanism of Melaleuca cajuputi leaf extract by cell morphology studies and molecular docking analysis , 2024
Ziziphus mauritiana Lam. Bark and Leaves: Extraction, Phytochemical Composition, In Vitro Bioassays and In Silico Studies , 2024
Integrating chemical analysis with in vitro, in silico, and network pharmacology to discover potential functional compounds from Marrubium astracanicum subsp. macrodon , 2024
Elucidating the chemical profile and biological studies of Verbascum diversifolium Hochst. extracts , 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
Synthesis and molecular modeling of MetAP2 of thiosemicarbazides, 1,2,4-triazoles, thioethers derived from (S)-Naproxen as possible breast cancer agents , 2022
Assessment of circular wound healing in rats after exposure to 808-nm laser pulses during specific healing phases , 2015
Binding of agonist WAY-267,464 and antagonist WAY-methylated to oxytocin receptor probed by all-atom molecular dynamics simulations , 2020
Synthesis, molecular modeling, in vivo study and anticancer activity against prostate cancer of (+) (S)-naproxen derivatives , 2020
Activation Mechanism of Corticotrophin Releasing Factor Receptor Type 1 Elucidated Using Molecular Dynamics Simulations , 2021
Evaluating the phyto-complexity and poly-pharmacology of spices: The case of Aframomum melegueta K. Schum (Zingiberaceae) , 2022
Molecular modeling studies of some phytoligands from Ficus sycomorus fraction as potential inhibitors of cytochrome CYP6P3 enzyme of Anopheles coluzzii , 2022
Gathering scientific evidence for a new bioactive natural ingredient: The combination between chemical profiles and biological activities of Flueggea virosa extracts , 2022
Which Extraction Solvents and Methods Are More Effective in Terms of Chemical Composition and Biological Activity of Alcea fasciculiflora from Turkey? , 2022
Phenolic Profile, Antioxidant and Enzyme Inhibitory Activities of Leaves from Two Cassia and Two Senna Species , 2022
Comparative GC-MS Analysis of Fresh and Dried Curcuma Essential Oils with Insights into Their Antioxidant and Enzyme Inhibitory Activities , 2023
Exploration of the binding pocket of histone deacetylases: the design of potent and isoform-selective inhibitors , 2017
Isolation and Characterization of a New Angiotensin-converting Enzyme Inhibitory Peptide fromHeterobronchus bidorsalis , 2016
Status of malondialdehyde, catalase and superoxide dismutase levels/activities in schoolchildren with iron deficiency and iron-deficiency anemia of Kashere and its environs in Gombe State, Nigeria , 2019
Synthesis, Anticancer Activity on Prostate Cancer Cell Lines and Molecular Modeling Studies of Flurbiprofen-Thioether Derivatives as Potential Target of MetAP (Type II) , 2020
Integration of in vitro and in silico approaches to assess three Astragalus species from Turkey flora: A novel spotlight from lab bench to functional applications , 2022
Bridging the Chemical Profiles and Biological Effects of Spathodea campanulata Extracts: A New Contribution on the Road from Natural Treasure to Pharmacy Shelves , 2022
An In-Depth Study on the Metabolite Profile and Biological Properties of Primula auriculata Extracts: A Fascinating Sparkle on the Way from Nature to Functional Applications , 2022
Antioxidant and Enzyme Inhibitory Properties, and HPLC–MS/MS Profiles of Different Extracts of Arabis carduchorum Boiss.: An Endemic Plant to Turkey , 2022
Structure-based Virtual Screening of Natural Compounds as Potential Anti-Allergy Agents Against Cytokine Alarmins (TSLP and IL-33) , 2021
Chemical characterization of different extracts from Artemisia annua and their antioxidant, enzyme inhibitory and anti‐inflammatory properties , 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
Reports
Examining the binding propensity of some natural compounds against phosphodiesterase 5 using molecular docking and dynamics simulations - UBA ABDULLAHI IBRAHIM
S)-Naproksen’den türeyen 1,2,4-triazol ve tiyoeter bileşiklerinin sentezi ve meme kanseri üzerinde antikanser etkileri - BİRGÜL KAAN, UBA ABDULLAHI IBRAHIM, ÇUHADAR Ozan, KOÇYİĞİT SEVİNÇ SEVGİ, MEGA TİBER PINAR, ORUN OYA, YILMAZ ÖZGÜR, YELEKÇİ KEMAL, KÜÇÜKGÜZEL ŞÜKRİYE GÜNİZ
Identification of Potential Antagonists of CRF1R Using Structure-Based Virtual Screening and Molecular Dynamics Simulation - UBA ABDULLAHI IBRAHIM, Wu Chun
Synthesis, molecular modeling of containing naproxen 1,2,4-triazole moiety hydrazide-hydrazones as anticancer agents - HAN MUHAMMED İHSAN, BEKCİ HATİCE, UBA ABDULLAHI IBRAHIM, CUMAOĞLU AHMET, YELEKÇİ KEMAL, KÜÇÜKGÜZEL ŞÜKRİYE GÜNİZ
Potential Reversible Inhibitors of Lysine-Specific Histone
Demethylase 1 Identified Via Structure-Based Virtual Screening - UBA ABDULLAHI IBRAHIM
Molecular dynamics studies of taxol bound to tubulin dimer-GDP interface - UBA ABDULLAHI IBRAHIM
Activation mechanism of corticotrophin releasing factor receptor Type 1 elucidated using molecular dynamics simulation - UBA ABDULLAHI IBRAHIM, Scorese Nicolas, Dean Emily, Liu Haiguang, Wu Chun
Intermolecular interactions in human HDAC8 crystal structures and the stability of binding modes of co-crystallized inhibitors - UBA ABDULLAHI IBRAHIM, YELEKÇİ KEMAL
Novel potential inhibitors of histone deacetylase 6 identified using structure based virtual screening and molecular dynamics simulation - UBA ABDULLAHI IBRAHIM, Liu Haiguang, Wu Chun
Probing partial activation of cannabinoid receptor type 2 and identification of novel partial agonist by structure-based virtual screening and molecular dynamics simulation - UBA ABDULLAHI IBRAHIM, Aluwala Harika, Liu Haiguang, Wu Chun
Synthesis and Molecular Modeling of New (S)-Naproxen Thioethers as Possible Breast Cancer Agents - BİRGÜL KAAN, UBA ABDULLAHI IBRAHIM, Çuhadar Ozan, KOÇYİĞİT SEVİNÇ SEVGİ, MEGA TİBER PINAR, ORUN OYA, YILMAZ ÖZGÜR, YELEKÇİ KEMAL, KÜÇÜKGÜZEL ŞÜKRİYE GÜNİZ
Binding of a positive allosteric modulator CDPPB to metabotropic glutamate receptor type 5 (mGluR5) probed by all-atom molecular dynamics simulation. - UBA ABDULLAHI IBRAHIM, Chea John, Hoag Hannah, Hryb Mariya, Bui-Linh Candice, Wu Chun
Synthesis and Anticancer Activity of New (S)-Naproxen Derivative As Methionine Aminopeptidase (Type II) Inhibitors - BİRGÜL KAAN, UBA ABDULLAHI IBRAHIM, BEKCİ HATİCE, CUMAOĞLU AHMET, KESKİN ÖZLEM, YELEKÇİ KEMAL, KÜÇÜKGÜZEL ŞÜKRİYE GÜNİZ
Identification of HDAC6 selective inhibitors via structure-based virtual screening and molecular dynamics simulation assay. - UBA ABDULLAHI IBRAHIM, YELEKÇİ KEMAL
Books
Artificial Intelligence in Precision Drug Design, Volume 2 – Academic Press (Elsevier)
Melatonin: Role in Plant Signaling, Growth and Stress Tolerance – Springer, Cham
Melatonin: Role in Plant Signaling, Growth and Stress Tolerance – Springer Cham
Physical Chemistry Research at Undergraduate Institutions: Innovative and Impactful Approaches, Volume 1 – American Chemical Society
Melatonin: Role in Plant Signaling, Growth and Stress Tolerance – Springer, Cham
Awards
Epigenetic Chemical Biology Early Career Investigator Workshop, 15 February 2018, Institut Pasteur, Paris, France – 2018
