Khattab Al-Khafaji

发表

Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2

Tuğba Taşkın Tok, Khattab Al-Khafaji, Dunya Al-DuhaidahawiL, 2020, Journal of biomolecular structure & dynamics.

Understanding the mechanism of amygdalin’s multifunctional anti-cancer action using computational approach

Tuğba Taşkın Tok, Khattab Al-Khafaji, 2020, Journal of biomolecular structure & dynamics.

Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19

Md. Anowar Khasru Parvez, Md. Shahedur Rahman, Md. Almujaddade Alfasane, 2020, Journal of biomolecular structure & dynamics.

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

B. Ateş, Aydın Aktaş, Yetkin Gök, 2020, Monatshefte für Chemie - Chemical Monthly.

Computer-based identification of potential compounds from Salviae miltiorrhizae against Neirisaral adhesion A regulatory protein

Md. Shahedur Rahman, T. Tok, Khattab Al-Khafaji, 2020, Journal of biomolecular structure & dynamics.

Identification of naphthyridine and quinoline derivatives as potential Nsp16-Nsp10 inhibitors: a pharmacoinformatics study

A. Alanazi, Khattab Al-Khafaji, Bilal J M Aldahham, 2020, Journal of biomolecular structure & dynamics.

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.

M. T. Islam, Chandan Sarkar, Dina M El-Kersh, 2022, Life sciences.

Phytochemical constituents of Inula britannica as potential inhibitors of dihydrofolate reductase: A strategic approach against shigellosis

Khattab Al-Khafaji, S. Jose, S. P., 2021, Journal of biomolecular structure & dynamics.

Recognizing novel drugs against Keap1 in Alzheimer’s disease using machine learning grounded computational studies

Rohit Kumar Sharma, G. Ashraf, Mohamed Kamel, 2022, Frontiers in Molecular Neuroscience.

Amentoflavone, New Hope against SARS-CoV-2: An Outlook through its Scientific Records and an in silico Study

D. Calina, A. Docea, M. Martorell, 2021, Pharmacognosy Research.

Quercetin and/or Ascorbic Acid Modulatory Effect on Phenobarbital-Induced Sleeping Mice Possibly through GABAA and GABAB Receptor Interaction Pathway

M. T. Islam, Chandan Sarkar, O. Atolani, 2021, Pharmaceuticals.

Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis

Tugba Taskin Tok, Khattab Al-Khafaji, T. Tok, 2020, Comput. Methods Programs Biomed..

Design of a multi-epitope vaccine against SARS-CoV-2: immunoinformatic and computational methods

Md. Shahedur Rahman, Khattab Al-Khafaji, Md. Oliullah Rafi, 2022, RSC advances.

In Silico Evaluation of Different Flavonoids from Medicinal Plants for Their Potency against SARS-CoV-2

Md. Jamal Hossain, R. Capasso, T. Emran, 2021, Biologics.

Amygdalin as multi-target anticancer drug against targets of cell division cycle: double docking and molecular dynamics simulation

Tuğba Taşkın Tok, Khattab Al-Khafaji, 2021 .

Nature-Derived Compounds as Potential Bioactive Leads against CDK9-Induced Cancer: Computational and Network Pharmacology Approaches

A. S. Saikat, Hafeza Akter, Sang-Suk Lee, 2022, Processes.

Diterpenes/Diterpenoids and Their Derivatives as Potential Bioactive Leads against Dengue Virus: A Computational and Network Pharmacology Study

M. T. Islam, P. Wilairatana, A. Siyadatpanah, 2021, Molecules.

Bioinformatic and computational analysis for predominant mutations of the Nrf2/Keap1 complex in pediatric leukemia

S. H. Aktaş, Khattab Al-Khafaji, D. F. Akin-Bali, 2020, Journal of biomolecular structure & dynamics.

Anxiolytic-like Effect of Quercetin Possibly through GABA Receptor Interaction Pathway: In Vivo and In Silico Studies

H. Coutinho, M. Hanif, R. Kowalski, 2022, Molecules.

A detailed understanding of the COL10A1 and SOX9 genes interaction based on potentially damaging mutations in gastric cancer using computational techniques

S. H. Aktaş, Khattab Al-Khafaji, D. F. Akin-Bali, 2021, Journal of biomolecular structure & dynamics.

Synthesis, Anti-inflammatory Effects, Molecular Docking and Molecular Dynamics Studies of 4- Hydroxy Coumarin Derivatives as Inhibitors of COX-II Enzyme

A. Al-Amiery, Khattab Al-Khafaji, Dunya L. AL-Duhaidahawi, 2022 .

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

M. H. Mezher, K. Choowongkomon, S. Yalın, 2022, Journal of biomolecular structure & dynamics.

A subunit vaccine against pneumonia: targeting Streptococcus pneumoniae and Klebsiella pneumoniae

Md. Shahedur Rahman, S. Mandal, Polash Kumar Biswas, 2023, Network Modeling Analysis in Health Informatics and Bioinformatics.

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.

B. Ateş, Khattab Al-Khafaji, T. Taşkın-Tok, 2021, Bioorganic chemistry.

Target prediction, computational identification, and network-based pharmacology of most potential phytoconstituent in medicinal leaves of Justicia adhatoda against SARS-CoV-2

M. Ghosh, Khattab Al-Khafaji, Pankaj Dagur, 2022, Journal of biomolecular structure & dynamics.

Investigation of Promising Antiviral Candidate Molecules based on Algal Phlorotannin for the Prevention of COVID-19 Pandemic by in silico Studies

E. Akkol, S. Sayın, E. Saygili, 2021 .

Computational techniques for studying protein-protein interactions

Khattab Al-Khafaji, T. Taşkın-Tok, 2022, Advances in Protein Molecular and Structural Biology Methods.

Superior photo-induced antibacterial/antibiofilm activities of ZnPcs/TiO2 and computational simulation studies.

I. H. Patir, S. Yalın, Khattab Al-Khafaji, 2023, Journal of materials chemistry. B.

Amygdalin as multi-target anticancer drug against targets of cell division cycle: double docking and molecular dynamics simulation

Tuğba Taşkın Tok, T. Tok, Khattab Al-Khafaji, 2020, Journal of biomolecular structure & dynamics.