Shaban Ahmad

Publications

• In-silico analysis reveals Quinic acid as a multitargeted inhibitor against Cervical Cancer
• 2-hydrazinobenzothiazole based derivatives: Synthesis, characterization, antifungal, DNA binding and molecular modelling approaches
• Predictive modeling and therapeutic repurposing of natural compounds against the receptor-binding domain of SARS-CoV-2
• Comprehensive Computational Studies of Naturally Occurring Kuguacins as Antidiabetic Agents by Targeting Visfatin
• Therapeutic Protein-Based Vaccines
• Nanoinformatics and nanomodeling: Recent developments in computational nanodrug design and delivery systems
• Synthesis, Single crystal, TD-DFT, Molecular Dynamics Simulation and DNA binding studies of Carbothioamide Analog
• 5-Nitroindazole against Lung Cancer: A multitargeted in-silico molecular docking and Molecular Dynamics simulation study
• Investigating the multitargeted anti-diabetic potential of cucurbitane-type triterpenoid from Momordica charantia : an LC-MS, docking-based MM\GBSA and MD simulation study
• Integrative computational approaches identify haptoglobin inhibitors to modulate erythrocyte sedimentation rate in trauma-linked inflammatory and haematological malignancies
• Structure-Based Design of Novel MAO-B Inhibitors: A Review
• Comparative genomic assessment of members of genus Tenacibaculum: an exploratory study
• Comparative insight into rice chloroplasts genome: mutational phylogenomics reveals Echinochloa oryzicola as the ongoing progenitor of rice
• SARS-CoV-2 Variants Show a Gradual Declining Pathogenicity and Pro-Inflammatory Cytokine Stimulation, an Increasing Antigenic and Anti-Inflammatory Cytokine Induction, and Rising Structural Protein Instability: A Minimal Number Genome-Based Approach
• Multialgorithm-Based Docking Reveals Imidazolidinyl Urea as a Multitargeted Inhibitor for Lung Cancer
• Illustrious Implications of Nature-Inspired Computing Methods in Therapeutics and Computer-Aided Drug Design
• Consequential Innovations in Nature-Inspired Intelligent Computing Techniques for Biomarkers and Potential Therapeutics Identification
• Reporting dinaciclib and theodrenaline as a multitargeted inhibitor against SARS-CoV-2: an in-silico study
• Multisampling-based docking reveals Imidazolidinyl urea as a multitargeted inhibitor for lung cancer: an optimisation followed multi-simulation and in-vitro study
• Structural–functional analysis and molecular characterization of arsenate reductase from Enterobacter cloacae RSC3 for arsenic biotransformation
• Design, synthesis, X-ray crystal structures, anticancer, DNA binding, and molecular modelling studies of pyrazole–pyrazoline hybrid derivatives
• Structure-based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation, and Metabolic Reactivity Studies of Quinazoline Derivatives for their Anti-EGFR Activity Against Tumor Angiogenesis
• Deciphering the influenza neuraminidase inhibitory potential of naturally occurring biflavonoids: An in silico approach
• Natural Product-Based Drug Designing for Treatment of Human Parasitic Diseases
• Deep learning in variant detection and annotation
• Contributors
• Investigating the Inhibitory Effects of Paliperidone on RAGEs: Docking, DFT, MD Simulations, MMPBSA, MTT, Apoptosis, and Immunoblotting Studies
• Computational screening and MM/GBSA-based MD simulation studies reveal the high binding potential of FDA-approved drugs against Cutibacterium acnes sialidase
• Beispielhafte Implikationen von naturinspirierten Berechnungsmethoden auf Therapeutika und computergestützte Arzneimittelentwicklung
• Bedeutende Innovationen in naturinspirierten intelligenten Computertechniken zur Identifizierung von Biomarkern und potenziellen therapeutischen Mitteln
• Application of machine learning–based approaches in stem cell research
• Deep learning in computer-aided drug design: a case study
• In-silico and in-vitro study reveals ziprasidone as a potential aromatase inhibitor against breast carcinoma
• Microbial Biofilm Inhibition Using Magnetic Cross-Linked Polyphenol Oxidase Aggregates
• Meet the Executive Guest Editor
• Integrative analysis discovers Imidurea as dual multitargeted inhibitor of CD69, CD40, SHP2, lysozyme, GATA3, cCBL, and S-cysteinase from SARS-CoV-2 and M. tuberculosis
• Evaluating the polypharmacological potential of cosmetic preservative Imidurea against Lung Cancer-associated EGFR, CDK2, STAT3, BCL2, p53, and ABCB1 proteins
• An extensive review on lung cancer therapeutics using machine learning techniques: state-of-the-art and perspectives
• Reporting multitargeted potency of Tiaprofenic acid against lung cancer: Molecular fingerprinting, MD simulation, and MTT-based cell viability assay studies
• Identification of 5-nitroindazole as a multitargeted inhibitor for CDK and transferase kinase in lung cancer: a multisampling algorithm-based structural study
• Synthesis, structural elucidation, and antibacterial activities of novel copper(II), cobalt(II), and nickel(II) complexes with a bidentate Schiff base ligand against pathogenic bacteria
• Artificial Bee Colony Algorithms in Gene Expression Studies: A Case Study
• Generative AI in Drug Designing: Current State-of-the-Art and Perspectives
• Probing the role of Coniferin and Tetrahydrocurcumin from Traditional Chinese medicine against PSAT1 in early-stage ovarian cancer: An in silico study
• Evaluating the polypharmacological potency of FEDPN from ChEMBL BioAssays against lung cancer EGFR, ALK, TrkA and KRAS proteins
• RCSB Protein Data Bank: revolutionising drug discovery and design for over five decades
• Probing the multitargeted potency of Theodrenaline and its comparative evaluation with Crizotinib against transferase, hydrolase, signalling, and apoptosis-related proteins to overcome lung cancer drug resistance
• FDA-approved Levophed as an alternative multitargeted therapeutic against cervical cancer transferase, cell cycle, and regulatory proteins
• Molecular dynamics simulation and docking studies reveals inhibition of NF-kB signaling as a promising therapeutic drug target for reduction in cytokines storms
• Machine learning for genomic profiling and drug discovery in personalised lung cancer therapeutics
• In silico Analysis of ACE2 Receptor to Find Potential Herbal Drugs in COVID-19 Associated Neurological Dysfunctions
• Phytochemical Analysis and Antifungal Activity of Weed Extracts against Rhizoctonia Root Rot in Buckwheat (Fagopyrum tataricum)
• From molecules to patients: the clinical applications of biological databases and electronic health records
• Mitogen-Activated Protein Kinase, Plants, and Heat Stress
• Mobile Technology Solution for COVID-19: Surveillance and Prevention
• A Review on Predictive Systems and Data Models for COVID-19
• Exosomes as an emerging nanoplatform for functional therapeutics
• In-Silico Screening and Molecular Dynamics Simulation of Drug Bank Experimental Compounds against SARS-CoV-2
• Multitargeted Molecular Dynamic Understanding of Butoxypheser Against SARS-CoV-2: An in Silico Study
• Unveiling the multitargeted potential of N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine (NSL-CG) against SARS CoV-2: a virtual screening and molecular dynamics simulation study
• Clinical Applications of Next-Generation Sequence Analysis in Acute Myelogenous Leukemia
• Macrophage-Targeted Punicalagin Nanoengineering to Alleviate Methotrexate-Induced Neutropenia: A Molecular Docking, DFT, and MD Simulation Analysis
• Fundamentals of molecular modeling in drug design
• Novel Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV2) and Other Coronaviruses: A Genome-wide Comparative Annotation and Analysis (vol 476, pg 2203, 2021)
• Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
• Hemi-Babim and Fenoterol as Potential Inhibitors of MPro and Papain-like Protease against SARS-CoV-2: An In-Silico Study
• Antiviral Potential of Indian Medicinal Plants Against Influenza and SARS-CoV: A Systematic Review
• The Incipient Role of Computational Intelligence in Oncology: Drug Designing, Discovery, and Development
• Novel Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV2) and Other Coronaviruses: A Genome-wide Comparative Annotation and Analysis
• Probing the effect of a plus 1bp frameshift mutation in protein-DNA interface of domestication gene, NAMB1, in wheat
• DrLungker: A Deep Ensemble Learning Framework for Predicting Anti‐Lung Cancer Compound Activity and Validating Multitarget Potency through WaterMap, DFT, MD Simulations, and MM‐GBSA Analysis