S. Mahmud

发表

Designing potent inhibitors against the multidrug resistance P-glycoprotein

M. Islam, S. Fakayode, M. Khan, 2021, Journal of biomolecular structure & dynamics.

Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the pharmacophore sites

F. Almalki, T. Ben Hadda, S. Kawsar, 2022, Bioorganic Chemistry.

Catabolic profiling of selective enzymes in the saccharification of non-food lignocellulose parts of biomass into functional edible sugars and bioenergy: An in silico bioprospecting

M. Farjana, M. H. Rahman, S. Mahmud, 2022, Journal of advanced veterinary and animal research.

Network-based identification genetic effect of SARS-CoV-2 infections to Idiopathic pulmonary fibrosis (IPF) patients

Bikash Kumar Paul, Tasnimul Alam Taz, M. Moni, 2020, Briefings Bioinform..

Evaluation of SYK Gene as a Prognostic Biomarker and Suggested Aromatic Potential Phytochemicals to Halt the Colorectal Cancer

Md. Rezanur Rahman, Md. Abu Saleh, Atikur Rahman, 2021 .

Evolving Infection Paradox of SARS-CoV-2: Fitness Costs Virulence?

K. Crandall, M. Hasan, M. A. Hossain, 2020, medRxiv.

The Emergence of SARS-CoV-2 Variants With a Lower Antibody Response: A Genomic and Clinical Perspective

J. Simal-Gándara, A. Siyadatpanah, M. Park, 2022, Frontiers in Medicine.

Tobacco Smoking and Liver Cancer Risk: Potential Avenues for Carcinogenesis

J. Sharifi‐Rad, D. Calina, A. Docea, 2021, Journal of oncology.

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19

S. Mahmud, M. Saleh, A. Swargiary, 2020, Journal of biomolecular structure & dynamics.

A conserved subunit vaccine designed against SARS-CoV-2 variants showed evidence in neutralizing the virus

Md. Omar Faruque, K. K. Kibria, S. Mahmud, 2022, Applied Microbiology and Biotechnology.

Computational discovery of plant-based inhibitors against human carbonic anhydrase IX and molecular dynamics simulation

Z. Nain, S. Mahmud, M. Billah, 2020, Journal of biomolecular structure & dynamics.

Triazoles and Their Derivatives: Chemistry, Synthesis, and Therapeutic Applications

M. Ghoneim, M. Rahman, F. Almalki, 2022, Frontiers in Molecular Biosciences.

Analysis of Ten Microsecond simulation data of SARS-CoV-2 dimeric main protease

M. Hasanuzzaman, S. Mahmud, Md. Rimon Parves, 2020, bioRxiv.

Molecular Docking and Dynamics Simulation of Natural Compounds from Betel Leaves (Piper betle L.) for Investigating the Potential Inhibition of Alpha-Amylase and Alpha-Glucosidase of Type 2 Diabetes

Md. Chayan Ali, M. Ali, S. K. Biswas, 2022, Molecules.

Bioinformatics approaches to investigate the phytochemicals of Centella asiatica against the main protease of SARS-CoV-2

M. Moni, F. Ahmed, A. Mahfuz, 2021 .

Exploring the potent inhibitors and binding modes of phospholipase A2 through in silico investigation

Fahmida Alam Tithi, N. Absar, S. Mahmud, 2020, Journal of biomolecular structure & dynamics.

Plant-derived compounds effectively inhibit the main protease of SARS-CoV-2: An in silico approach

S. Mahmud, S. Zaman, M. Islam, 2022, PloS one.

Can the SARS-CoV-2 Omicron Variant Confer Natural Immunity against COVID-19?

T. Emran, F. Alhumaydhi, A. Siyadatpanah, 2022, Molecules.

In vitro antioxidant and cytotoxicity activities and in silico anticancer property of methanolic leaf extract of Leucas indica

Atikur Rahman, Md. Abu Reza, S. Mahmud, 2022, Informatics in Medicine Unlocked.

Missense mutations in spike protein of SARS‐CoV‐2 delta variant contribute to the alteration in viral structure and interaction with hACE2 receptor

T. Emran, S. Mahmud, M. S. S. Shimu, 2022, Immunity, inflammation and disease.

Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5′-O-uridine derivatives bearing acyl moieties: POM study and identification of the pharmacophore sites

F. Almalki, S. Kawsar, T. Hadda, 2022, Nucleosides, nucleotides & nucleic acids.

Extensive immunoinformatics study for the prediction of novel peptide-based epitope vaccine with docking confirmation against envelope protein of Chikungunya virus: a computational biology approach

Syed Shahariar Bappy, M. Khan, K. K. Kibria, 2020, Journal of biomolecular structure & dynamics.

Novel Galactopyranoside Esters: Synthesis, Mechanism, In Vitro Antimicrobial Evaluation and Molecular Docking Studies

M. Rahman, Bonglee Kim, S. Mahmud, 2022, Molecules.

phytochemdb: a platform for virtual screening and computer-aided drug designing

T. Emran, S. Mahmud, S. Zaman, 2022, Database J. Biol. Databases Curation.

The Current State of Knowledge in Biological Properties of Cirsimaritin

M. Shariati, J. Simal-Gándara, G. Zengin, 2022, Antioxidants.

Phytochemical Constituents, Biological Activities, and Health-Promoting Effects of the Melissa officinalis

J. Sharifi‐Rad, D. Calina, M. Martorell, 2021, Oxidative medicine and cellular longevity.

Proteome-wide screening for designing a multi-epitope vaccine against emerging pathogen Elizabethkingia anophelis using immunoinformatic approaches

S. Khan, S. Sayed, Z. Nain, 2019, Journal of biomolecular structure & dynamics.

Mixed dye degradation by Bacillus pseudomycoides and Acinetobacter haemolyticus isolated from industrial effluents: A combined affirmation with wetlab and in silico studies

M. Mizanur Rahman, S. Mahmud, Md. Abu Saleh, 2022, Arabian Journal of Chemistry.

Revealing the Acetylcholinesterase Inhibitory Potential of Phyllanthus amarus and Its Phytoconstituents: In Vitro and in Silico Approach

S. Mahmud, Ahmad J. Obaidullah, Oluwabukunmi G. Olajubutu, 2022, Bioinformatics and biology insights.

Amentoflavone derivatives against SARS-CoV-2 main protease (MPRO): An in silico study

Y. Mabkhot, M. T. Islam, H. Khan, 2023, Main Group Chemistry.

Fermentation optimization of cellulase production from sugarcane bagasse by Bacillus pseudomycoides and molecular modeling study of cellulase

K. Naher, S. Mahmud, S. Zaman, 2020, Current research in microbial sciences.

Biochemical and in silico study of leaf and bark extracts from Aphanamixis polystachya against common pathogenic bacteria

S. Mahmud, S. Zaman, G. Paul, 2021, Saudi journal of biological sciences.

Screening of Potent Phytochemical Inhibitors Against SARS-CoV-2 Main Protease: An Integrative Computational Approach

T. Emran, M. Khan, R. Jahan, 2021, Frontiers in Bioinformatics.

A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico investigation

J. Simal-Gándara, T. Emran, A. Rakib, 2021, Briefings Bioinform..

LC-MS/HRMS Analysis, Anti-Cancer, Anti-Enzymatic and Anti-Oxidant Effects of Boerhavia diffusa Extracts: A Potential Raw Material for Functional Applications

R. Capasso, G. Zengin, M. Baloğlu, 2021, Antioxidants.

Efficacy of Pseudomonas sp. and Bacillus sp. in textile dye degradation: A combined study on molecular identification, growth optimization, and comparative degradation

S. Mahmud, S. Zaman, Md. Abu Saleh, 2022, Journal of Hazardous Materials Letters.

UHPLC-Q/Orbitrap/MS based chemical fingerprinting and hepatoprotective potential of medicinal plant Morinda angustifolia Roxb.

S. Uddin, S. Mahmud, Jamil A. Shilpi, 2022, South African Journal of Botany.

Methanolic Bark Extract of Abroma augusta (L.) Induces Apoptosis in EAC Cells through Altered Expression of Apoptosis Regulatory Genes

Md. Abu Reza, S. Mahmud, K. Hoque, 2020, Evidence-based complementary and alternative medicine : eCAM.

Integrated Machine Learning and Chemoinformatics-Based Screening of Mycotic Compounds against Kinesin Spindle ProteinEg5 for Lung Cancer Therapy

J. Simal-Gándara, M. Ghoneim, M. Ramakrishnan, 2022, Molecules.

Phytochemicals from Leucas zeylanica Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations

Mayeen Uddin Khandaker, T. Emran, M. Islam, 2021, Biology.

Identification of potential phytochemicals from Citrus Limon against main protease of SARS-CoV-2: molecular docking, molecular dynamic simulations and quantum computations

J. Simal-Gándara, T. Emran, M. Islam, 2021, Journal of biomolecular structure & dynamics.

Designing of a Multi-epitope Vaccine against the Structural Proteins of Marburg Virus Exploiting the Immunoinformatics Approach

K. Dhama, T. Emran, M. Uddin, 2021, ACS omega.

Designing a multi-epitope vaccine candidate to combat MERS-CoV by employing an immunoinformatics approach

K. Dhama, M. Moni, T. Emran, 2021, Scientific Reports.

Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations

Y. Ozeki, T. Emran, F. Yasmin, 2022, Glycoconjugate journal.

Synthesis, Antimicrobial, Anticancer, PASS, Molecular Docking, Molecular Dynamic Simulations & Pharmacokinetic Predictions of Some Methyl β-D-Galactopyranoside Analogs

M. Yamada, Y. Ozeki, T. Emran, 2021, Molecules.

Biochemical and Molecular Dynamics Study of a Novel GH 43 α-l-Arabinofuranosidase/β-Xylosidase From Caldicellulosiruptor saccharolyticus DSM8903

A. El-Shehawi, Sarah M. Albogami, S. Mahmud, 2022, Frontiers in Bioengineering and Biotechnology.

Targeting SARS-CoV-2 nonstructural protein 15 endoribonuclease: an in silico perspective

A. Elfiky, S. Mahmud, Abdo A. Elfiky, 2021, Future virology.

Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study

S. Mahmud, S. Zaman, Md. Abu Saleh, 2021, Arabian Journal of Chemistry.

Impacts of nutritive and bioactive compounds on cancer development and therapy

M. Shariati, J. Simal-Gándara, G. Zengin, 2022, Critical reviews in food science and nutrition.

In search of inhibitors of anti-cancer drug target Fibroblast Growth Factor Receptors: insights from virtual screening, molecular docking, and molecular dynamics study

A. Mahfuz, S. Mahmud, A. Khan, 2022, Arabian Journal of Chemistry.

Pathogenicity and virulence of Marburg virus

K. Dhama, T. Emran, Saikat Mitra, 2022, Virulence.

Use of Next-Generation Sequencing for Identifying Mitochondrial Disorders

Sultan Alshehri, Bonglee Kim, S. Mahmud, 2022, Current issues in molecular biology.

Drug Repurposing Approach against Novel Coronavirus Disease (COVID-19) through Virtual Screening Targeting SARS-CoV-2 Main Protease

Abu Montakim Tareq, J. Simal-Gándara, T. Emran, 2020, Biology.

In silico design of an epitope-based vaccine against choline binding protein A of Streptococcus pneumoniae

K. K. Kibria, S. Mahmud, M. Mohasin, 2021, Informatics in Medicine Unlocked.

Dominant clade‐featured SARS‐CoV‐2 co‐occurring mutations reveal plausible epistasis: An in silico based hypothetical model

K. Crandall, I. Jahid, A. R. U. Rubayet Ul Alam, 2021, Journal of medical virology.

Potent In Vitro Phosphodiesterase 1 Inhibition of Flavone Isolated from Pistacia integerrima Galls

J. Sharifi‐Rad, W. Setzer, Y. Mabkhot, 2022, BioMed research international.

Identification and in silico molecular modelling study of newly isolated Bacillus subtilis SI-18 strain against S9 protein of Rhizoctonia solani

Md. Samiul Islam, R. Sultana, W. Dong, 2020 .

Analysis of SYK Gene as a Prognostic Biomarker and Suggested Potential Bioactive Phytochemicals as an Alternative Therapeutic Option for Colorectal Cancer: An In-Silico Pharmaco-Informatics Investigation

Md. Rezanur Rahman, Atikur Rahman, M. Rahman, 2021, Journal of personalized medicine.

Identification of biomarkers and pathways for the SARS-CoV-2 infections that make complexities in pulmonary arterial hypertension patients

Tasnimul Alam Taz, M. Moni, S. Mahmud, 2021, Briefings Bioinform..

Assessment of structurally and functionally high-risk nsSNPs impacts on human bone morphogenetic protein receptor type IA (BMPR1A) by computational approach

Md Jahirul Islam, Md Rimon Parves, Shafi Mahmud, 2019, Comput. Biol. Chem..

Phenolic compounds as α-glucosidase inhibitors: a docking and molecular dynamics simulation study

S. Mahmud, A. Swargiary, M. Roy, 2022, Journal of biomolecular structure & dynamics.

An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 Variants

W. Sippl, T. Emran, M. Khan, 2021, Frontiers in Pharmacology.

Prospective Role of Peptide-Based Antiviral Therapy Against the Main Protease of SARS-CoV-2

A. Hossain, K. Chidambaram, T. Emran, 2021, Frontiers in Molecular Biosciences.

Physicochemical, spectral, molecular docking and ADMET studies of Bisphenol analogues; A computational approach

A. Yousuf, M. Uddin, S. Islam, 2021, Informatics in Medicine Unlocked.

Immunoinformatics-guided design of a multi-epitope vaccine based on the structural proteins of severe acute respiratory syndrome coronavirus 2

T. Emran, M. Alanazi, A. Alqahtani, 2021, RSC advances.

Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2

Md. Samiul Islam, T. Emran, S. Islam, 2021, Briefings Bioinform..

In silico analysis of ciprofloxacin analogs as inhibitors of DNA gyrase of Staphylococcus aureus

T. Emran, Md. Arif Khan, S. Mahmud, 2021, Informatics in Medicine Unlocked.

Natural flavonoids effectively block the CD81 receptor of hepatocytes and inhibit HCV infection: a computational drug development approach

M. Rahman, Bonglee Kim, S. Mahmud, 2022, Molecular Diversity.

Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2

A. Islam, S. Mahmud, A. Amin, 2020, Journal of biomolecular structure & dynamics.

Molecular Docking and Dynamics Studies to Explore Effective Inhibitory Peptides Against the Spike Receptor Binding Domain of SARS-CoV-2

Gomaa Mostafa-Hedeab, G. Batiha, M. Alqarni, 2022, Frontiers in Molecular Biosciences.

Chemical Profiles and Pharmacological Properties with in Silico Studies on Elatostema papillosum Wedd

Abu Montakim Tareq, J. Simal-Gándara, T. Emran, 2021, Molecules.

In Silico Evaluation of Iranian Medicinal Plant Phytoconstituents as Inhibitors against Main Protease and the Receptor-Binding Domain of SARS-CoV-2

R. Capasso, T. Emran, A. Karami, 2021, Molecules.

Curcumin Analogues as a Potential Drug against Antibiotic Resistant Protein, β-Lactamases and L, D-Transpeptidases Involved in Toxin Secretion in Salmonella typhi: A Computational Approach

T. Emran, S. Mahmud, Afsana Yeasmin Tanzina, 2021, BioMedInformatics.

Plant-Based Phytochemical Screening by Targeting Main Protease of SARS-CoV-2 to Design Effective Potent Inhibitors

J. Simal-Gándara, K. Dhama, T. Emran, 2021, Biology.

Structure-based design of new diclofenac: Physicochemical, spectral, molecular docking, dynamics simulation and ADMET studies

K. Fatema, S. Mahmud, M. Matin, 2021, Informatics in Medicine Unlocked.

Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets

T. Emran, Salah Uddin, S. Mahmud, 2021, Expert review of clinical pharmacology.

In vitro and in silico approach of fungal growth inhibition by Trichoderma asperellum HbGT6-07 derived volatile organic compounds

Md. Samiul Islam, R. Sultana, Chunhao Jiang, 2021 .

Identification of Zinc-Binding Inhibitors of Matrix Metalloproteinase-9 to Prevent Cancer Through Deep Learning and Molecular Dynamics Simulation Approach

V. Pande, S. Chandra, Mi-Kyung Jeong, 2022, Frontiers in Molecular Biosciences.

Elucidating the Glucokinase Activating Potentials of Naturally Occurring Prenylated Flavonoids: An Explicit Computational Approach

M. Alqarni, S. Mahmud, Ahmad J. Obaidullah, 2021, Molecules.

A molecular phylogeny of Taeniophyllum THRJ inferred from DNA barcode regions

G. Batiha, T. Emran, S. Mahmud, 2021 .

Phytochemical Compound Screening to Identify Novel Small Molecules against Dengue Virus: A Docking and Dynamics Study

M. Ghoneim, T. Emran, Junghwan Kim, 2022, Molecules.

Efficacy of Phytochemicals Derived from Avicennia officinalis for the Management of COVID-19: A Combined In Silico and Biochemical Study

R. Capasso, J. Simal-Gándara, T. Emran, 2021, Molecules.

Comparative molecular investigation of the potential inhibitors against SARS-CoV-2 main protease: a molecular docking study

F. Ahmed, M. Rahmatullah, Md. Arif Khan, 2020, Journal of biomolecular structure & dynamics.

Computational screening and biochemical analysis of Pistacia integerrima and Pandanus odorifer plants to find effective inhibitors against Receptor-Binding domain (RBD) of the spike protein of SARS-Cov-2

Mala Khan, Afaf A Aldahish, S. Mahmud, 2021, Arabian Journal of Chemistry.

Prediction of the activity of carbohydrate moiety of bromelain as immunomodulator using an in silico approach

T. Emran, S. Mahmud, D. Kusumawaty, 2023, AIP Conference Proceedings.

Designing potential siRNA molecules for silencing the gene of the nucleocapsid protein of Nipah virus: A computational investigation.

A. Mahfuz, M. Rahaman, Mahmudul Hasan, 2022, Infection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases.

In silico prediction of a highly immunogenic and conserved epitope against Zika Virus

S. Mahmud, Imdadul Haque Sharif, Debasish Paul, 2021 .

Designing an epitope vaccine against Dermatophagoides pteronyssinus: An in silico study.

H. Harapan, Y. Ophinni, T. Emran, 2021, Acta tropica.