| Doxorubicin—an agent with multiple mechanisms of anticancer activity M Kciuk, A Gielecińska, S Mujwar, D Kołat, Ż Kałuzińska-Kołat, I Celik, ... Cells 12 (4), 659, 2023 | 122 | 2023 |
| A comprehensive review of the potential use of green tea polyphenols in the management of COVID‐19 TE Tallei, Fatimawali, NJ Niode, R Idroes, BMRM Zidan, S Mitra, I Celik, ... Evidence‐Based Complementary and Alternative Medicine 2021 (1), 7170736, 2021 | 90 | 2021 |
| Identification of bioactive molecules from Triphala (Ayurvedic herbal formulation) as potential inhibitors of SARS-CoV-2 main protease (Mpro) through computational investigations M Rudrapal, I Celik, J Khan, MA Ansari, MN Alomary, FA Alatawi, R Yadav, ... Journal of King Saud University-Science 34 (3), 101826, 2022 | 63 | 2022 |
| Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1, 3, 4-oxadiazole linked benzimidazoles as anticancer agents and aromatase … U Acar Çevik, I Celik, A Işık, I Ahmad, H Patel, Y Özkay, ZA Kaplancıklı Journal of Biomolecular Structure and Dynamics 41 (5), 1944-1958, 2023 | 58 | 2023 |
| In silico evaluation of Iranian medicinal plant phytoconstituents as inhibitors against main protease and the receptor-binding domain of SARS-CoV-2 SS Mousavi, A Karami, TM Haghighi, SG Tumilaar, Fatimawali, R Idroes, ... Molecules 26 (18), 5724, 2021 | 53 | 2021 |
| Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations YS Mary, YS Mary, S Armaković, SJ Armaković, R Yadav, I Celik, P Mane, ... Journal of Molecular Liquids 335, 116192, 2021 | 53 | 2021 |
| Design, synthesis and docking studies of benzimidazole derivatives as potential EGFR inhibitors I Celik, G Ayhan-Kılcıgil, B Guven, Z Kara, AS Gurkan-Alp, A Karayel, ... European journal of medicinal chemistry 173, 240-249, 2019 | 50 | 2019 |
| Interactions of the receptor binding domain of SARS-CoV-2 variants with hACE2: Insights from molecular docking analysis and molecular dynamic simulation I Celik, R Yadav, Z Duzgun, S Albogami, AM El-Shehawi, R Idroes, ... Biology 10 (9), 880, 2021 | 46 | 2021 |
| Evaluation of activity of some 2, 5-disubstituted benzoxazole derivatives against acetylcholinesterase, butyrylcholinesterase and tyrosinase: ADME prediction, DFT and … I Celik, M Erol, O Temiz Arpaci, F Sezer Senol, I Erdogan Orhan Polycyclic Aromatic Compounds 42 (2), 412-423, 2022 | 42 | 2022 |
| An analysis based on molecular docking and molecular dynamics simulation study of bromelain as anti-SARS-CoV-2 variants TE Tallei, Fatimawali, A Yelnetty, R Idroes, D Kusumawaty, TB Emran, ... Frontiers in Pharmacology 12, 717757, 2021 | 39 | 2021 |
| Theoretical investigation on the reactive and interaction properties of sorafenib–DFT, AIM, spectroscopic and Hirshfeld analysis, docking and dynamics simulation YS Mary, YS Mary, AS Rad, R Yadav, I Celik, S Sarala Journal of Molecular Liquids 330, 115652, 2021 | 39 | 2021 |
| Antidiabetic bioactive compounds from Tetrastigma angustifolia (Roxb.) Deb and Oxalis debilis Kunth.: Validation of ethnomedicinal claim by in vitro and in silico studies JA Junejo, K Zaman, M Rudrapal, I Celik, EI Attah South African Journal of Botany 143, 164-175, 2021 | 37 | 2021 |
| In silico evaluation of potential inhibitory activity of remdesivir, favipiravir, ribavirin and galidesivir active forms on SARS-CoV-2 RNA polymerase I Celik, M Erol, Z Duzgun Molecular Diversity, 1-14, 2021 | 36 | 2021 |
| Design, Synthesis, Molecular Docking, Molecular Dynamics and In Vivo Antimalarial Activity of New Dipeptide‐Sulfonamides JA Ezugwu, UC Okoro, MA Ezeokonkwo, KS Hariprasad, M Rudrapal, ... ChemistrySelect 7 (5), e202103908, 2022 | 35 | 2022 |
| Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2 R Yadav, S Hasan, S Mahato, I Celik, YS Mary, A Kumar, P Dhamija, ... Journal of molecular liquids 342, 116942, 2021 | 35 | 2021 |
| Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies M Rudrapal, I Celik, S Chinnam, MA Ansari, J Khan, S Alghamdi, ... Saudi Journal of Biological Sciences 29 (5), 3456-3465, 2022 | 33 | 2022 |
| Approach to the mechanism of action of hydroxychloroquine on SARS-CoV-2: a molecular docking study I Celı̇k, A Onay-Besı̇kcı̇, G Ayhan-Kilcigı̇l Journal of Biomolecular Structure and Dynamics 39 (15), 5792-5798, 2021 | 30 | 2021 |
| Bioactive Antidiabetic Flavonoids from the Stem Bark of Cordia dichotoma Forst.: Identification, Docking and ADMET Studies N Hussain, BB Kakoti, M Rudrapal, KK Sarwa, I Celik, EI Attah, ... Molbank 2021 (2), M1234, 2021 | 29 | 2021 |
| Synthesis, molecular modeling, quantum mechanical calculations and ADME estimation studies of benzimidazole-oxadiazole derivatives as potent antifungal agents UA Çevik, I Celik, A Işık, RR Pillai, TE Tallei, R Yadav, Y Özkay, ... Journal of Molecular Structure 1252, 132095, 2022 | 27 | 2022 |
| Antimicrobial and antiproliferative activity studies of some new quinoline-3-carbaldehyde hydrazone derivatives MO Puskullu, I Celik, M Erol, H Fatullayev, E Uzunhisarcikli, G Kuyucuklu Bioorganic Chemistry 101, 104014, 2020 | 27 | 2020 |
