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Results for “"Md. Ekhtiar Rahman"”

19 results

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

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Shafi Mahmud, Mohammad Abu Raihan Uddin, Gobindo Kumar Paul, Mst. Sharmin Sultana Shimu et al.

Journal: Briefings in BioinformaticsYear: 2020Citations: 119

The new coronavirus (SARS-CoV-2) halts the world economy and caused unbearable medical emergency due to high transmission rate and also no effective vaccine and drugs has been developed which brought the world pandemic situations. The main protease (Mpro) of SARS-CoV-2 may act as an effective target...

Physical SciencesComputer ScienceComputational Theory and MathematicsOpen Access
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Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2

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Shafi Mahmud, Mohammad Abu Raihan Uddin, Meemtaheena Zaman, Khaled Mahmud Sujon et al.

Journal: Journal of Biomolecular Structure and DynamicsYear: 2020Citations: 54

Newly emerged SARS-CoV-2 made recent pandemic situations across the globe is accountable for countless unwanted death and insufferable panic associated with co-morbidities among mass people. The scarcity of appropriate medical treatment and no effective vaccine or medicine against SARS-CoV-2 has tur...

Physical SciencesComputer ScienceComputational Theory and MathematicsOpen Access
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Computational discovery of plant-based inhibitors against human carbonic anhydrase IX and molecular dynamics simulation

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Shafi Mahmud, Md. Ekhtiar Rahman, Zulkar Nain, Mu’tasim Billah et al.

Journal: Journal of Biomolecular Structure and DynamicsYear: 2020Citations: 49

Carbonic anhydrase IX (hCAIX) is a membrane-spanning metalloenzyme, encoded by CA9 gene, which can lead to various carcinomas if upregulated. Due to its overexpression in many cancer tissues, hCAIX has become a promising target for developing anticancer therapeutics. Furthermore, several classes of ...

Life SciencesBiochemistry, Genetics and Molecular BiologyMolecular Biology
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Comparative molecular investigation of the potential inhibitors against SARS-CoV-2 main protease: a molecular docking study

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Md. Arif Khan, Shafi Mahmud, A. S. M. Rubayet Ul Alam, Md. Ekhtiar Rahman et al.

Journal: Journal of Biomolecular Structure and DynamicsYear: 2020Citations: 42

Recent outbreak of novel coronavirus and its rapid pandemic escalation in all over the world has drawn the attention to urgent need for effective drug development. However, due to prolonged vaccine and drug development procedure against a newly emerged devastating SARS-CoV-2 virus pathogen, repurpos...

Physical SciencesComputer ScienceComputational Theory and MathematicsOpen Access
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Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (Mpro) using molecular docking and deep learning methods

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Alomgir Hossain, Md. Ekhtiar Rahman, Md Siddiqur Rahman, Khondokar Nasirujjaman et al.

Journal: Computers in Biology and MedicineYear: 2023Citations: 38

Highly transmissive and rapidly evolving Coronavirus disease-2019 (COVID-19), a viral disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), triggered a global pandemic, which is one of the most researched viruses in the academia. Effective drugs to treat people with COVID-1...

Physical SciencesComputer ScienceComputational Theory and MathematicsOpen Access
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phytochemdb: a platform for virtual screening and computer-aided drug designing

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Shafi Mahmud, Gobindo Kumar Paul, Suvro Biswas, Taheruzzaman Kazi et al.

Journal: DatabaseYear: 2022Citations: 38

The phytochemicals of medicinal plants are regarded as a rich source of diverse chemical spaces that have been used as supplements and alternative medicines in the millennium. Even in this era of combinatorial chemical drugs, phytomedicines account for a large share of the statistics of newly approv...

Physical SciencesComputer ScienceComputational Theory and MathematicsOpen Access
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Characterization of Plant-Derived Natural Inhibitors of Dipeptidyl Peptidase-4 as Potential Antidiabetic Agents: A Computational Study

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Alomgir Hossain, Md. Ekhtiar Rahman, Md Omar Faruqe, Ahmed Saif et al.

Journal: PharmaceuticsYear: 2024Citations: 19

Diabetes, characterized by elevated blood sugar levels, poses significant health and economic risks, correlating with complications like cardiovascular disease, kidney failure, and blindness. Dipeptidyl peptidase-4 (DPP-4), also referred to as T-cell activation antigen CD26 (EC 3.4.14.5.), plays a c...

Health SciencesMedicineOncologyOpen Access
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Mechanistic insight of Staphylococcus aureus associated skin cancer in humans by Santalum album derived phytochemicals: an extensive computational and experimental approaches

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Md. Eram Hosen, Sumaiya Jahan Supti, Shopnil Akash, Md. Ekhtiar Rahman et al.

Journal: Frontiers in ChemistryYear: 2023Citations: 12

An excessive amount of multidrug-resistant Staphylococcus aureus is commonly associated with actinic keratosis (AK) and squamous cell carcinoma (SCC) by secreted virulence products that induced the chronic inflammation leading to skin cancer which is regulated by staphylococcal accessory regulator (...

Life SciencesBiochemistry, Genetics and Molecular BiologyMolecular BiologyOpen Access
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Targeting SARS-CoV-2 Nonstructural Protein 15 Endoribonuclease: an <i>in silico</i> Perspective

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Shafi Mahmud, Abdo A. Elfiky, Al Amin, Sumon Chandro Mohanto et al.

Journal: Future VirologyYear: 2021Citations: 11

The newly emerged human coronavirus, SARS-CoV-2, had begun to spread last year and sparked worldwide. In this study, molecular docking is utilized to test some previously approved drugs against the SARS-CoV-2 nonstructural protein 15 (Nsp15). We screened 23 drugs, from which three (saquinavir, valru...

Health SciencesMedicineInfectious DiseasesOpen Access
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Unveiling Neuroprotective Potential of Spice Plant-Derived Compounds against Alzheimer’s Disease: Insights from Computational Studies

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M. Alom, Rejwana Parvin Bonna, Ariful Islam, Md. Wasim Alom et al.

Journal: International Journal of Alzheimer s DiseaseYear: 2023Citations: 9

Alzheimer's disease (AD) is a serious threat to the global health care system and is brought on by a series of factors that cause neuronal dysfunction and impairment in memory and cognitive decline. This study investigated the therapeutic potential of phytochemicals that belong to the ten regularly ...

Physical SciencesComputer ScienceComputational Theory and MathematicsOpen Access
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Assessment of the hypoglycemic and anti-hemostasis effects of Paederia foetida (L.) in controlling diabetes and thrombophilia combining in vivo and computational analysis

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Jannatul Ferdous, Md. Ekhtiar Rahman, Farzana Sayed Sraboni, Amit Kumar Dutta et al.

Journal: Computational Biology and ChemistryYear: 2023Citations: 4

Paederia foetida is valued for its folk medicinal properties. This research aimed to assess the acute toxicity, hypoglycemic and anti-hemostasis properties of the methanolic extract of P. foetida leaves (PFLE). Acute toxicity of PFLE was performed on a mice model. Hypoglycemic and anti-hemostasis pr...

Life SciencesPharmacology, Toxicology and PharmaceuticsPharmacology
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Identification of Potential Inhibitors Targeting Non-Structural Proteins NS3 and NS5 of Dengue Virus Using Docking and Deep Learning Approaches

Verified

Alomgir Hossain, Faria Tasnin Joti, M. S. Hossain, Abdullah Al-Noman et al.

Journal: PharmaceuticalsYear: 2025Citations: 3

Background: Dengue virus (DENV) is the fatal pathogenic arthropod-borne virus (arboviruses) that belongs to the Flaviviridae family, which transmits to humans through mosquito bites from infected Aedes aegypti and Aedes albopictus mosquitoes or maternal-fetal transmission. Despite antigenic differen...

Physical SciencesComputer ScienceComputational Theory and MathematicsOpen Access
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Chlorin-based chlorophyll c derivatives as bioinspired donor and sensitizer materials for organic and dye-sensitized solar cells

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Md. Ekhtiar Rahman, M. S. Hossain, Nabil Ahmed, Faria Tasnin Joti et al.

Journal: Journal of Physics and Chemistry of SolidsYear: 2025Citations: 1
Physical SciencesEnergyRenewable Energy, Sustainability and the Environment
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Genotoxic effects of NDMA-contaminated ranitidine on Allium cepa cells and unveiling carcinogenic mechanisms via DFT and molecular dynamics simulation study

Verified

Mst. Kusum Kaly, Md. Ekhtiar Rahman, Md. Sohel Rana, Uzzal Kumar Acharjee et al.

Journal: Scientific ReportsYear: 2024Citations: 1

This study investigated the potential genotoxic and carcinogenic effects of N-nitrosodimethylamine (NDMA), a hazardous compound found in ranitidine formulations that are used to treat excessive stomach acid. The study first examined the effects of NDMA-contaminated ranitidine formulation on Allium c...

Life SciencesPharmacology, Toxicology and PharmaceuticsPharmaceutical ScienceOpen Access
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Effects of Different Vegetables Supplement on the Growth and Development of Superworm ( <i>Zophobas Morio F.</i> ) in Bangladesh

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Fabiha Amin Chowdhury, Madhav Koirala, Md. Ekhtiar Hosen Tisham, M. Bishal Rahman et al.

Journal: Journal of Applied EntomologyYear: 2026

ABSTRACT Superworm ( Zophobas morio F. ), the larva of the darkling beetle, is a widely used source of sustainable insect‐based protein for animal feed and organic waste biodegradation. Its growth and development are strongly influenced by diet composition, especially the inclusion of vegetables. In...

Life SciencesAgricultural and Biological SciencesInsect Science
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Uralenol, Glycyrol, and Abyssinone II as potent inhibitors of fibroblast growth factor receptor 2 from anti-cancer plants: A deep learning and molecular dynamics approach

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Alomgir Hossain, Md. Sanowar Hossan, Md. Shahanur Prodhan, Mariya Joy et al.

Journal: PLoS ONEYear: 2026

Fibroblast Growth Factor Receptor 2 (FGFR2) plays a critical role in cellular proliferation and differentiation, and its dysregulation is associated with multiple cancers. This study integrates molecular docking, deep learning, pharmacokinetic profiling, and molecular dynamics (MD) simulations to id...

Life SciencesBiochemistry, Genetics and Molecular BiologyMolecular BiologyOpen Access
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Molecular Insights into Culinary Herb-Derived Compounds Targeting Bcl2 for Leukemia Treatment

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Md. Ekhtiar Rahman, Alomgir Hossain, Md. Mahedi Hasan Sourov, Md. Muntasir Alam Muhib et al.

Journal: SSRN Electronic JournalYear: 2024
Life SciencesPharmacology, Toxicology and PharmaceuticsToxicologyOpen Access
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Comprehensive in silico characterization of Arabidopsis thaliana RecQl helicases through structure prediction and molecular dynamics simulations

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Amit Kumar Dutta, Md. Ekhtiar Rahman

Journal: Journal of King Saud University - ScienceYear: 2024

Helicases are ubiquitous enzymes with specific functions that contribute to almost all nucleic acid metabolic processes. The RecQ helicase family is essential for integrity in all organisms through DNA replication, repair, and recombination. This study investigated five RecQ-like helicases in Arabid...

Life SciencesBiochemistry, Genetics and Molecular BiologyMolecular BiologyOpen Access
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In Vitro and in Silico Approach to Evaluate Hypoglycemic and Anti-Hemostasis Effects of Paederia Foetida in Managing Diabetes and Thrombophilia

Verified

Jannatul Ferdous, Md. Ekhtiar Rahman, Farzana Sayed Sraboni, Amit Kumar Dutta et al.

Journal: SSRN Electronic JournalYear: 2023
Life SciencesPharmacology, Toxicology and PharmaceuticsPharmacologyOpen Access
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