Published Researchs

Computational analysis of bevacizumab binding with protein receptors for its potential anticancer activityJournal of biomolecular structure and dynamicsComputational chemistry2024  Visit URL
A new approach for determination of urinary 8-hydroxy-20-deoxyguanosine in cancer patients using reinforced solid/liquid phase microextraction combined with HPLC-DADActa ChromatographicaCancer biomarker analysis2023  Visit URL
Isoform switching leads to downregulation of cytokine producing genes in estrogen receptor positive breast cancerFront. Genet., 13 October 2023 Sec. Computational GenomicsBiology Chemistry2023  Visit URL
A study of drug candidates derived from pleconaril for inhibiting coxsackievirus B3 (Cvb3) by ADMET, molecular docking, molecular dynamics and retrosynthesisNew journal of ChemistryNJC (New Journal of Chemistry) is a broad-based primary journal encompassing all branches of chemistry and its sub-disciplines. It contains full research articles, communications, perspectives and focus articles. This well-established journal, owned by the Centre National de la Recherche Scientifique (CNRS) of France, has been co-published with the Royal Society of Chemistry since January 1998. NJC is the forum for the publication of high-quality, original and significant work that opens new d2022  Visit URL
Computational study of quinoline-basednew journal of chemistrycomputational chemistry2022  Visit URL
In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation and ADMET profilingjournal of molecular structureThe Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including:2022  Visit URL
Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approachComputers in Biology and MedicineComputers in Biology and Medicine, a companion title to Informatics in Medicine Unlocked, is a medium of international communication of the revolutionary advances being made in the application of the computer to the fields of bioscience and medicine. The Journal encourages the exchange of important research, instruction, ideas and information on all aspects of the rapidly expanding area of computer usage in these fields. The Journal will focus on such areas as (1) Analysis of Biomedical Systems:2021  Visit URL
Molecular dynamics simulation of a cucurbituril based molecular switch triggered by pH changesComputational and Theoretical ChemistryComputational Chemistry2015  Visit URL
Free energy perturbation and MM/PBSA studies on inclusion complexes of some structurally related compounds with ?-cyclodextrinSupramolecular ChemistryComputational Chemistry2009  Visit URL
molecular dynamics simulations and MM-PBSA calculations of the cyclodextrin inclusion complexes with 1-alkanols, para-substituted phenols and substituted imidazoles Journal of Molecular Structure: THEOCHEMComputational Chemistry2008  Visit URL