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Rational drug repurposing for alzheimer’s treatment using in-silico ligand and structure-based approaches
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A molecular dynamics perspective into estrogen receptor inhibition by selective flavonoids as alternative therapeutic options
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CADD and Informatics in Drug Discovery
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Comprehensive Healthcare Simulation: Pharmacy Education, Practice and Research
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Machine learning and biological evaluation-based identification of a potential MMP-9 inhibitor, effective against ovarian cancer cells SKOV3
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Computational Methods in Psychiatry
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RETRACTED ARTICLE: Molecular docking simulation, drug-likeness assessment, and pharmacokinetic study of some cephalosporin analogues against a penicillin-binding protein of Salmonella typhimurium
The Journal of Antibiotics,
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Quantum chemical studies, spectroscopic NMR and FT-IR analysis, and molecular docking investigation of 3,3′-di-O-methyl ellagic acid (DMA) as a potent Mycobacterium tuberculosis agent
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A molecular dynamics perspective into estrogen receptor inhibition by selective flavonoids as alternative therapeutic options
Journal of Biomolecular Structure and Dynamics,
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Emerging Need of Today: Significant Utilization of Various Databases and Softwares in Drug Design and Development
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Advances in Bioinformatics
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Current computer-aided drug design methodologies in discovery of novel drug candidates for neuropsychiatric and inflammatory diseases
Arhiv za farmaciju,
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Molecular modeling as a stage of searching for new substances with potential therapeutic significance
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Phytochemicals as Lead Compounds for New Drug Discovery
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Emerging Research in Science and Engineering Based on Advanced Experimental and Computational Strategies
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Nanoinformatics and biomolecular nanomodeling: a novel move en route for effective cancer treatment
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Toward computer-made artificial antibiotics
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Synthesis of 2-methyl-5-methoxy-1,4-benzoquinone and In-silico Activity Profiling Toward Cytochrome P450-3A4
IOP Conference Series: Materials Science and Engineering,
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Receptors p1 and p2 as Targets for Drug Therapy in Humans [Working Title]
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Systematic approach for enrichment of docking outcome using consensus scoring functions
Journal of Physics: Conference Series,
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Identification of target analogues of E3 ubiquitin ligase involved in the incidence of breast cancer: A rational drug designing approach
2018 International Conference on Bioinformatics and Systems Biology (BSB),
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Recent progress on anti-cancer of amide appended heterocyclic and its possible therapeutic applications. A review drug progress for cancer therapeutics.
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Advances in Animal Biotechnology and its Applications
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An “All-In-One” Pharmacophoric Architecture for the Discovery of Potential Broad-Spectrum Anti-Flavivirus Drugs
Applied Biochemistry and Biotechnology,
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A computational study on role of 6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol in the regulation of blood glucose level
Journal of Biomolecular Structure and Dynamics,
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Protein Moonlighting in Biology and Medicine
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Design of novel potential aromatase inhibitors via hybrid pharmacophore approach: docking improvement using the QM/MM method
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Green, efficient and large-scale synthesis of benzimidazoles, benzoxazoles and benzothiazoles derivatives using ligand-free cobalt-nanoparticles: as potential anti-estrogen breast cancer agents, and study of their interactions with estrogen receptor by molecular docking
RSC Adv.,
2015
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