Get started
Author

Khattab Al-Khafaji

Observed names: Al-Khafaji, Khattab, Khattab Al-khafaji
Observed institutions: University of Baghdad, Kasetsart University, University of Al Maarif, Al-Nisour University, University of Mashreq, Gaziantep University
ORCID: 0000-0002-2165-9256
Observed ORCID: 0000-0002-2165-9256
OpenAlex ID: A5071779796
Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis
2020 · Khattab Al-Khafaji, Tugba Taskin Tok · Computer Methods and Programs in Biomedicine · 189
Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2
2020 · Khattab Al-Khafaji, Dunya AL-Duhaidahawi, et al. · Journal of Biomolecular Structure and Dynamics · 150
Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19
2020 · Md. Oliullah Rafi, Gourab Bhattacharje, et al. · Journal of Biomolecular Structure and Dynamics · 63
Design of a multi-epitope vaccine against SARS-CoV-2: immunoinformatic and computational methods
2022 · Md. Oliullah Rafi, Khattab Al-Khafaji, et al. · RSC Advances · 56
PDF
Anxiolytic-like Effect of Quercetin Possibly through GABA Receptor Interaction Pathway: In Vivo and In Silico Studies
2022 · Md. Shahazul Islam, Rajib Hossain, et al. · Molecules · 51
PDF
Diterpenes/Diterpenoids and Their Derivatives as Potential Bioactive Leads against Dengue Virus: A Computational and Network Pharmacology Study
2021 · Rasel Ahmed Khan, Rajib Hossain, et al. · Molecules · 50
PDF
Amygdalin as multi-target anticancer drug against targets of cell division cycle: double docking and molecular dynamics simulation
2020 · Khattab Al-Khafaji, Tugba Taskin Tok · Journal of Biomolecular Structure and Dynamics · 38
PDF
Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives
2021 · Güler Yagiz, Samir Abbas Ali Noma, et al. · Bioorganic Chemistry · 37
Recognizing novel drugs against Keap1 in Alzheimer’s disease using machine learning grounded computational studies
2022 · Nobendu Mukerjee, Khattab Al-Khafaji, et al. · Frontiers in Molecular Neuroscience · 34
Investigation of berberine and its derivatives in Sars Cov-2 main protease structure by molecular docking, PROTOX-II and ADMET methods: in machine learning and in silico study
2022 · Erkan Oner, Khattab Al-Khafaji, et al. · Journal of Biomolecular Structure and Dynamics · 34
Quercetin and/or Ascorbic Acid Modulatory Effect on Phenobarbital-Induced Sleeping Mice Possibly through GABAA and GABAB Receptor Interaction Pathway
2021 · Rajib Hossain, Khattab Al-Khafaji, et al. · Pharmaceuticals · 31
PDF
GC–MS analysis, and evaluation of protective effect of Piper chaba stem bark against paracetamol-induced liver damage in Sprague-Dawley rats: Possible defensive mechanism by targeting CYP2E1 enzyme through in silico study
2022 · Chandan Sarkar, Milon Mondal, et al. · Life Sciences · 30
Identification of naphthyridine and quinoline derivatives as potential Nsp16-Nsp10 inhibitors: a pharmacoinformatics study
2020 · Bilal J. M. Aldahham, Khattab Al-Khafaji, et al. · Journal of Biomolecular Structure and Dynamics · 25
Understanding the mechanism of amygdalin’s multifunctional anti-cancer action using computational approach
2020 · Khattab Al-Khafaji, Tugba Taskin Tok · Journal of Biomolecular Structure and Dynamics · 24
HPLC-DAD-MS Characterization, Antioxidant Activity, α-amylase Inhibition, Molecular Docking, and ADMET of Flavonoids from Fenugreek Seeds
2023 · Mohammed Lamine Khenifi, Talia Serseg, et al. · Molecules · 22
PDF
Computer-based identification of potential compounds from Salviae miltiorrhizae against Neirisaral adhesion A regulatory protein
2020 · Md. Oliullah Rafi, Khattab Al-Khafaji, et al. · Journal of Biomolecular Structure and Dynamics · 21
A subunit vaccine against pneumonia: targeting Streptococcus pneumoniae and Klebsiella pneumoniae
2023 · Md. Oliullah Rafi, Khattab Al-Khafaji, et al. · Network Modeling Analysis in Health Informatics and Bioinformatics · 20
PDF
Synthesis, anti-inflammatory effects, molecular docking and molecular dynamics studies of 4-hydroxy coumarin derivatives as inhibitors of COX-II enzyme
2021 · Dunya AL-Duhaidahawi, Haider F.S. AL-Zubaidy, et al. · Journal of Molecular Structure · 20
In Silico Evaluation of Different Flavonoids from Medicinal Plants for Their Potency against SARS-CoV-2
2021 · H. El-Mageed, Doaa Abdelrheem, et al. · Biologics · 19
PDF
The (NHC)PdBr2(2-aminopyridine) complexes: synthesis, characterization, molecular docking study, and inhibitor effects on the human serum carbonic anhydrase and serum bovine xanthine oxidase
2020 · Ferhat Türker, Samir Abbas Ali Noma, et al. · Monatshefte für Chemie - Chemical Monthly · 18
Antiemetic effects of sclareol, possibly through 5-HT3 and D2 receptor interaction pathways: In-vivo and in-silico studies
2023 · Mehedi Hasan Bappi, Abdullah Al Shamsh Prottay, et al. · Food and Chemical Toxicology · 17
Amentoflavone, New Hope against SARS-CoV-2: An Outlook through its Scientific Records and an in silico Study
2021 · Rajib Hossain, Muhammad Torequl Islam, et al. · Pharmacognosy Research · 16
PDF
Phytochemical constituents of Inula britannica as potential inhibitors of dihydrofolate reductase: A strategic approach against shigellosis
2021 · Sandra Jose, Sreevidya S. Devi, et al. · Journal of Biomolecular Structure and Dynamics · 12
Target prediction, computational identification, and network-based pharmacology of most potential phytoconstituent in medicinal leaves of Justicia adhatoda against SARS-CoV-2
2022 · Pankaj Dagur, Gourav Rakshit, et al. · Journal of Biomolecular Structure and Dynamics · 10
Experimental processing and quantum mechanical insights using surface modification of Nano-Fe3O4@Oleic acid for the removal of phenol
2026 · Marwah Shuwaili, Maad A. Hussein, et al. · Journal of the Indian Chemical Society · 9
Works count: 57
Citation count: 1,048
H-index: 19
I10-index: 24
Year
Topic
Type