Sarkar M. A. Kawsar
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View article: Unveiling Palmitoyl Thymidine Derivatives as Antimicrobial/Antiviral Inhibitors: Synthesis, Molecular Docking, Dynamic Simulations, ADMET, and Assessment of Protein–Ligand Interactions
Unveiling Palmitoyl Thymidine Derivatives as Antimicrobial/Antiviral Inhibitors: Synthesis, Molecular Docking, Dynamic Simulations, ADMET, and Assessment of Protein–Ligand Interactions Open
Background/Objectives: Nucleoside precursors and derivatives play pivotal roles in the development of antimicrobial and antiviral therapeutics. The 2022 global outbreak of monkeypox (Mpox) across more than 100 nonendemic countries undersco…
View article: Potential antimicrobial properties of cytosine β-D-riboside derivatives through molecular dynamics and molecular docking exploration with bacterial and fungal proteins
Potential antimicrobial properties of cytosine β-D-riboside derivatives through molecular dynamics and molecular docking exploration with bacterial and fungal proteins Open
View article: Computational Investigation of the Unveils NSD2 Inhibition Potential of Berberis vulgaris, Sambucus nigra, and Morus alba through Virtual Screening, Molecular Docking, MD Simulation, and DFT Analyses
Computational Investigation of the Unveils NSD2 Inhibition Potential of Berberis vulgaris, Sambucus nigra, and Morus alba through Virtual Screening, Molecular Docking, MD Simulation, and DFT Analyses Open
View article: Characterization of HOL-30: a novel tandem-repeat galectin from the marine sponge Halichondria okadai
Characterization of HOL-30: a novel tandem-repeat galectin from the marine sponge Halichondria okadai Open
View article: In Silico Study, Antimicrobial and Antiinflammatory Activities of Eighteen Sulfonamide Derivatives: Interaction with Matrix Metalloproteinases (Mmps)
In Silico Study, Antimicrobial and Antiinflammatory Activities of Eighteen Sulfonamide Derivatives: Interaction with Matrix Metalloproteinases (Mmps) Open
View article: Novel benzylidene derivatives: Synthesis and their antimicrobial and anticancer studies and in silico investigations
Novel benzylidene derivatives: Synthesis and their antimicrobial and anticancer studies and in silico investigations Open
Given the importance of carbohydrate-based drugs, this study focused on the synthesis of five novel analogs (3–7) of methyl 4,6-O-benzylidene-α-D-glucopyranoside (2, MBDG). In vitro antimicrobial screening revealed that these MBDG derivati…
View article: FTIR, 1H-/13C-NMR spectral characterization, antimicrobial, anticancer, antioxidant, anti-inflammatory, PASS, SAR, and in silico properties of methyl α-D-glucopyranoside derivatives
FTIR, 1H-/13C-NMR spectral characterization, antimicrobial, anticancer, antioxidant, anti-inflammatory, PASS, SAR, and in silico properties of methyl α-D-glucopyranoside derivatives Open
A novel series of biologically active derivatives based on methyl α-D-glucopyranoside (MGP) has been developed, comprising 6-O-monosubstituted MGP derivatives obtained from methyl α-D-glucopyranoside. These derivatives were transformed int…
View article: Synthesis, spectral characterization, biological, FMO, MEP, molecular docking, and molecular dynamics simulation studies of cytidine derivatives as antimicrobial and anticancer agents
Synthesis, spectral characterization, biological, FMO, MEP, molecular docking, and molecular dynamics simulation studies of cytidine derivatives as antimicrobial and anticancer agents Open
Nucleoside derivatives are essential to medicinal chemistry because they provide biologically active drugs. A 5´-O-palmitoyl derivative (2) was obtained by directly treating cytidine (1) with palmitoyl chloride. New antimicrobial compounds…
View article: Novel Galectins Purified from the Sponge Chondrilla australiensis: Unique Structural Features and Cytotoxic Effects on Colorectal Cancer Cells Mediated by TF-Antigen Binding
Novel Galectins Purified from the Sponge Chondrilla australiensis: Unique Structural Features and Cytotoxic Effects on Colorectal Cancer Cells Mediated by TF-Antigen Binding Open
We here report the purification of a novel member of the galectin family, the β-galactoside-binding lectin hRTL, from the marine sponge Chondrilla australiensis. The hRTL lectin is a tetrameric proto-type galectin with a subunit molecular …
View article: Novel Galectins Purified from the Sponge Chondrilla australiensis: Unique Structural Features and Cytotoxic Effects on Colorectal Cancer Cells Mediated by TF-Antigen Binding
Novel Galectins Purified from the Sponge Chondrilla australiensis: Unique Structural Features and Cytotoxic Effects on Colorectal Cancer Cells Mediated by TF-Antigen Binding Open
We here report the purification of a novel member of the galectin family, the β-Galactoside-binding lectin hRTL, from the marine sponge Chondrilla australiensis. The hRTL lectin is a tetrameric proto-type galectin with a subunit molecular …
View article: Acylated glucopyranosides: FTIR, NMR, FMO, MEP, molecular docking, dynamics simulation, ADMET and antimicrobial activity against bacterial and fungal pathogens
Acylated glucopyranosides: FTIR, NMR, FMO, MEP, molecular docking, dynamics simulation, ADMET and antimicrobial activity against bacterial and fungal pathogens Open
Carbohydrates, among the most abundant and widespread biomolecules in nature, play indispensable roles in diverse biological functions and represent a treasure trove of untapped potential for pharmaceutical applications. From this perspect…
View article: Exploring the Potential of Nanophytoremediation for Mitigating Environmental Pollution
Exploring the Potential of Nanophytoremediation for Mitigating Environmental Pollution Open
Environmental pollution is an ongoing issue resulting from human activities, leading to the continuous exposure of the environment to harmful substances. Various remediation methods, such as heat treatment, oxidation, and ion exchange, hav…
View article: Chemical reactivity, molecular electrostatic potential, FTIR, NMR, in vitro, and in silico studies of mannopyranoside derivatives: 3-Nitrobenzoylation leads to improve antimicrobial activity
Chemical reactivity, molecular electrostatic potential, FTIR, NMR, in vitro, and in silico studies of mannopyranoside derivatives: 3-Nitrobenzoylation leads to improve antimicrobial activity Open
This investigation Extensively explored the synthesis and potential therapeutic applications of derivatives derived from methyl α-d-mannopyranoside. It encompasses a wide range of evaluations, including antimicrobial assessments, molecular…
View article: Efficient Synthesis, Structural Characterization, Antibacterial Assessment, ADME-Tox Analysis, Molecular Docking and Molecular Dynamics Simulations of New Functionalized Isoxazoles
Efficient Synthesis, Structural Characterization, Antibacterial Assessment, ADME-Tox Analysis, Molecular Docking and Molecular Dynamics Simulations of New Functionalized Isoxazoles Open
This work describes the synthesis, characterization, and in vitro and in silico evaluation of the biological activity of new functionalized isoxazole derivatives. The structures of all new compounds were analyzed by IR and NMR spectroscopy…
View article: Multifunctional Cell Regulation Activities of the Mussel Lectin SeviL: Induction of Macrophage Polarization toward the M1 Functional Phenotype
Multifunctional Cell Regulation Activities of the Mussel Lectin SeviL: Induction of Macrophage Polarization toward the M1 Functional Phenotype Open
SeviL, a galactoside-binding lectin previously isolated from the mussel Mytilisepta virgata, was demonstrated to trigger apoptosis in HeLa ovarian cancer cells. Here, we show that this lectin can promote the polarization of macrophage cell…
View article: Effectiveness of Biological Assays as an Alternative Method to Determine the Potency of Antibiotics: A Review
Effectiveness of Biological Assays as an Alternative Method to Determine the Potency of Antibiotics: A Review Open
In this review, chemical and biological assays performed in the pharmaceutical industry to determine the potency and bioactivity of antibiotics are discussed. Though commonly employed chemical methods can measure the potency of antibiotics…
View article: New Thiazolidine-4-One Derivatives as SARS-CoV-2 Main Protease Inhibitors
New Thiazolidine-4-One Derivatives as SARS-CoV-2 Main Protease Inhibitors Open
It has been more than four years since the first report of SARS-CoV-2, and humankind has experienced a pandemic with an unprecedented impact. Moreover, the new variants have made the situation even worse. Among viral enzymes, the SARS-CoV-…
View article: In vitro antimicrobial, anticancer evaluation, and in silico studies of mannopyranoside analogs against bacterial and fungal proteins: Acylation leads to improved antimicrobial activity
In vitro antimicrobial, anticancer evaluation, and in silico studies of mannopyranoside analogs against bacterial and fungal proteins: Acylation leads to improved antimicrobial activity Open
View article: Unveiling potent Schiff base derivatives with selective xanthine oxidase inhibition: In silico and in vitro approach
Unveiling potent Schiff base derivatives with selective xanthine oxidase inhibition: In silico and in vitro approach Open
View article: Ethylene-Di-Amine Modified β-Cyclodextrin Catalyzed Green Synthesis of Pyrimidones and Its In Silico Study against ESBL E. coli Receptor
Ethylene-Di-Amine Modified β-Cyclodextrin Catalyzed Green Synthesis of Pyrimidones and Its In Silico Study against ESBL E. coli Receptor Open
Modern organic synthesis is majorly focused on developing environmentally benign synthetic protocols by employing green chemistry principles. Accordingly, in our recent research work, we herein report the use of modified supramolecular hos…
View article: Synthesis, antimicrobial activity, molecular docking, molecular dynamics simulation, and ADMET properties of the mannopyranoside derivatives as antimicrobial agents
Synthesis, antimicrobial activity, molecular docking, molecular dynamics simulation, and ADMET properties of the mannopyranoside derivatives as antimicrobial agents Open
Multiple diseases are treated with carbohydrate-based medicinal products worldwide. Direct regioselective acylation of methyl α-D-mannopyranoside (MDMP) derivatives 2-6 afforded from the 6-O-butyryl derivative. This isolated 6-O-derivative…
View article: Exploring the effectiveness of flavone derivatives for treating liver diseases: Utilizing DFT, molecular docking, and molecular dynamics techniques
Exploring the effectiveness of flavone derivatives for treating liver diseases: Utilizing DFT, molecular docking, and molecular dynamics techniques Open
View article: Ethylene-Di-Amine Modified β-Cyclodextrin Catalyzed Green Synthesis of Pyrimidones and Its In Silico Study against ESBL E. coli Receptor
Ethylene-Di-Amine Modified β-Cyclodextrin Catalyzed Green Synthesis of Pyrimidones and Its In Silico Study against ESBL E. coli Receptor Open
Modern organic synthesis is majorly focused on developing environmentally benign synthetic protocols by employing green chemistry principles. Accordingly, in our recent research work, we herein report the use of modified supramolecular hos…
View article: Marine-Derived Compounds as Potential Inhibitors of Hsp90 for Anticancer and Antimicrobial Drug Development: A Comprehensive In Silico Study
Marine-Derived Compounds as Potential Inhibitors of Hsp90 for Anticancer and Antimicrobial Drug Development: A Comprehensive In Silico Study Open
Marine compounds constitute a diverse and invaluable resource for the discovery of bioactive substances with promising applications in the pharmaceutical development of anti-inflammatory and antibacterial agents. In this study, a comprehen…
View article: Exploring Cinnamoyl-Substituted Mannopyranosides: Synthesis, Evaluation of Antimicrobial Properties, and Molecular Docking Studies Targeting H5N1 Influenza A Virus
Exploring Cinnamoyl-Substituted Mannopyranosides: Synthesis, Evaluation of Antimicrobial Properties, and Molecular Docking Studies Targeting H5N1 Influenza A Virus Open
The pursuit of innovative combinations for the development of novel antimicrobial and antiviral medications has garnered worldwide interest among scientists in recent times. Monosaccharides and their glycosides, such as methyl α-d-mannopyr…
View article: In vitro and in silico evaluation of the antimicrobial and antioxidant activities of spiropyrazoline oxindole congeners
In vitro and in silico evaluation of the antimicrobial and antioxidant activities of spiropyrazoline oxindole congeners Open
The search for novel powerful antimicrobial and antioxidant agents is considered a dynamic field in medicinal chemistry. In this context, a series of spiropyrazoline indolin-3-one congeners were assessed for their in vitro bioactivities, a…
View article: Recent Progress in Synthesis, POM Analyses and SAR of Coumarin-Hybrids as Potential Anti-HIV Agents—A Mini Review
Recent Progress in Synthesis, POM Analyses and SAR of Coumarin-Hybrids as Potential Anti-HIV Agents—A Mini Review Open
The human immunodeficiency virus (HIV) is the primary cause of acquired immune deficiency syndrome (AIDS), one of the deadliest pandemic diseases. Various mechanisms and procedures have been pursued to synthesise several anti-HIV agents, b…
View article: Antifungal potential of mannopyranoside derivatives through computational and molecular docking studies against Candida albicans 1IYL and 1AI9 proteins
Antifungal potential of mannopyranoside derivatives through computational and molecular docking studies against Candida albicans 1IYL and 1AI9 proteins Open
Methyl α-D-mannopyranoside (MAM) is a naturally occurring carbohydrate derivative that has gained attention in drug discovery due to its potential therapeutic applications, particularly as an antifungal agent. In this study, we employed a …
View article: Macromolecules: Synthesis, antimicrobial, POM analysis and computational approaches of some glucoside derivatives bearing acyl moieties
Macromolecules: Synthesis, antimicrobial, POM analysis and computational approaches of some glucoside derivatives bearing acyl moieties Open
Macromolecules i.e., carbohydrate derivatives are crucial to biochemical and medical research. Herein, we designed and synthesized eight methyl α-D-glucopyranoside (MGP) derivatives (2-8) in good yields following the regiosel…
View article: In Silico Assessment of the Role of Iridoid in the Treatment of Zika and Influenza Virus Infection
In Silico Assessment of the Role of Iridoid in the Treatment of Zika and Influenza Virus Infection Open
Iridoids have been showing anticancer, antiproliferative, cardioprotective, hepatoprotective, antihyperglycemic, and immune stimulatory activities. Zika and H3N2 viruses belong to the RNA virus category, which was responsible for the reocc…