Ashanul Haque
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View article: Identification of new dasatinib analogues targeting mutated BCR-ABL1: Virtual screening, molecular docking, and dynamics simulations studies
Identification of new dasatinib analogues targeting mutated BCR-ABL1: Virtual screening, molecular docking, and dynamics simulations studies Open
Drug resistance is a significant challenge in cancer chemotherapy and accounts for a large number of cancer-related deaths globally. One of the well-identified and characterized mechanisms of drug resistance is the presence of BCR-ABL1 mut…
View article: Experimental and theoretical studies on structural changes in the microtubule affinity-regulating kinase 4 (MARK4) protein induced by N-hetarenes: a new class of therapeutic candidates for Alzheimer’s disease
Experimental and theoretical studies on structural changes in the microtubule affinity-regulating kinase 4 (MARK4) protein induced by N-hetarenes: a new class of therapeutic candidates for Alzheimer’s disease Open
Introduction Alzheimer’s disease (AD) is a neurodegenerative disorder that progressively affects the cognitive function and memory of the affected person. Unfortunately, only a handful of effective prevention or treatment options are avail…
View article: In vitro anticancer effects of frankincense and its nanoemulsions for enhanced cancer cell targeting
In vitro anticancer effects of frankincense and its nanoemulsions for enhanced cancer cell targeting Open
Introduction Frankincense has demonstrated promising in vitro anticancer activity. However, its conventional delivery methods face significant challenges due to limited oral bioavailability. To address these limitations, this study focuses…
View article: 4,6-Disubstituted pyrimidine-based microtubule affinity-regulating kinase 4 (MARK4) inhibitors: synthesis, characterization, in-vitro activity and in-silico studies
4,6-Disubstituted pyrimidine-based microtubule affinity-regulating kinase 4 (MARK4) inhibitors: synthesis, characterization, in-vitro activity and in-silico studies Open
Introduction Alzheimer’s disease (AD) is a neurodegenerative disorder that significantly impacts the cognitive function and memory of a person. Despite the significant research efforts, the ability to completely prevent or effectively trea…
View article: Patterns of dengue rash in patients presenting with dengue fever in emergency.
Patterns of dengue rash in patients presenting with dengue fever in emergency. Open
Objective: Patterns of Dengue Rash in Patients Presenting with Dengue Fever in Emergency. Study Design: Descriptive study. Setting: Emergency Department, Ziauddin Hospital. Period: September 2022 to October 2022. Methods: The sample size o…
View article: Muscular Dystrophies and Therapeutic Potential of Medicinal Plants
Muscular Dystrophies and Therapeutic Potential of Medicinal Plants Open
Muscular dystrophies (MDs) are an array of inherited disorders characterized by progressive muscle weakness and degeneration. This review explores the genetic foundation, pathophysiological mechanisms, current treatments, and therapeutic p…
View article: Innovative eco-sustainable reishi mushroom-based adsorbents for progesterone removal and agricultural sustainability
Innovative eco-sustainable reishi mushroom-based adsorbents for progesterone removal and agricultural sustainability Open
The pervasive presence of endocrine-disrupting chemicals (EDCs), particularly progesterone, in aquatic ecosystems poses significant ecological and human health risks, necessitating the development of sustainable and efficient removal strat…
View article: Branched polyethyleneimine functionalized tin(IV)-porphyrinic complex: Synthesis, characterization and application towards acid blue 25 adsorption from water
Branched polyethyleneimine functionalized tin(IV)-porphyrinic complex: Synthesis, characterization and application towards acid blue 25 adsorption from water Open
In the present work, we report the synthesis, characterization and anionic dye adsorption application of a polyethyleneimine (PEI) functionalized (5,10,15,20 tetraphenyl porphyrinato) tin(IV) dichloride Sn(TPP)(Cl2). The adsorbent [Sn(TPP)…
View article: Muscular Dystrophies and Therapeutic Potential of Medicinal Plants
Muscular Dystrophies and Therapeutic Potential of Medicinal Plants Open
Muscular dystrophies (MD) are an array of inherited disorders characterized by progressive muscle weakness and degeneration. This review explores the genetic foundation, pathophysiological mechanisms, current treatments, and therapeutic po…
View article: Pharmacological Activities of Zingiber officinale Roscoe: Inhibition of HSA Protein Glycation, Structure Stability and Function Restoration
Pharmacological Activities of Zingiber officinale Roscoe: Inhibition of HSA Protein Glycation, Structure Stability and Function Restoration Open
Background: Controlled non-enzymatic glycation reactions are common under normal physiological conditions. However, during elevated blood glucose conditions, the glycation reactions are accelerated, leading to the formation of toxic compou…
View article: Exploring novel natural compound-based therapies for Duchenne muscular dystrophy management: insights from network pharmacology, QSAR modeling, molecular dynamics, and free energy calculations
Exploring novel natural compound-based therapies for Duchenne muscular dystrophy management: insights from network pharmacology, QSAR modeling, molecular dynamics, and free energy calculations Open
Muscular dystrophies encompass a heterogeneous group of rare neuromuscular diseases characterized by progressive muscle degeneration and weakness. Among these, Duchenne muscular dystrophy (DMD) stands out as one of the most severe forms. T…
View article: Synthesis, Structures, Thermal stability and optical spectroscopy of Pt(II) di‑yne and poly‑yne incorporating 2,2′-Bipyridine-4,4′-diyl spacer
Synthesis, Structures, Thermal stability and optical spectroscopy of Pt(II) di‑yne and poly‑yne incorporating 2,2′-Bipyridine-4,4′-diyl spacer Open
In platinum(II) di-ynes and poly-ynes the optical properties are influenced by the pattern of conjugation in the functionalised acetylide linker groups. We report the synthesis and characterisation of new Pt(II) di‑yne trans-[(Ph)(Et₃P)₂Pt…
View article: Antidiabetic Potential of Phytochemicals Found in Vernonia amygdalina
Antidiabetic Potential of Phytochemicals Found in Vernonia amygdalina Open
Type 2 diabetes mellitus (T2DM), or “insulin-independent diabetes mellitus,” is a worldwide health concern. Diabetes affects roughly 415 million individuals worldwide, with 193 million undiagnosed cases. The number of people afflicted in t…
View article: Synthesis, Characterization, Cytotoxicity, Cellular Imaging, Molecular Docking, and ADMET Studies of Piperazine-Linked 1,8-Naphthalimide-Arylsulfonyl Derivatives
Synthesis, Characterization, Cytotoxicity, Cellular Imaging, Molecular Docking, and ADMET Studies of Piperazine-Linked 1,8-Naphthalimide-Arylsulfonyl Derivatives Open
To reduce the mortality and morbidity associated with cancer, new cancer theranostics are in high demand and are an emerging area of research. To achieve this goal, we report the synthesis and characterization of piperazine-linked 1,8-naph…
View article: Synthesis, Characterization, Antiglycation Evaluation, Molecular Docking, and ADMET Studies of 4-Thiazolidinone Derivatives
Synthesis, Characterization, Antiglycation Evaluation, Molecular Docking, and ADMET Studies of 4-Thiazolidinone Derivatives Open
The design and development of new small-molecule glycation inhibitors are essential for preventing various chronic diseases, including diabetes mellitus, immunoinflammation, cardiovascular, and neurodegenerative diseases. 4-Thiazolidinone …
View article: Synthesis, anticancer activity, molecular docking and molecular dynamics studies of some pyrazole–chalcone hybrids
Synthesis, anticancer activity, molecular docking and molecular dynamics studies of some pyrazole–chalcone hybrids Open
Four new hybrid compounds (H1–H4) bearing pyrazole (S1 and S2) and chalcone (P1 and P2) fragments were synthesized and characterized. Compounds were assayed for their ability to inhibit the proliferation of human lung (A549) and colon (Cac…
View article: Chemical, biological and in silico assessment of date (P. dactylifera L.) fruits grown in Ha’il region
Chemical, biological and in silico assessment of date (P. dactylifera L.) fruits grown in Ha’il region Open
Background: Dates palm ( Phoenix dactylifera L.) fruits are among the most widely used fruits in the Middle East and African nations. Numerous researchers confirmed the presence of phytochemicals in P. dactylifera L. fruit and its by-produ…
View article: CCDC 2013352: Experimental Crystal Structure Determination
CCDC 2013352: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Non-covalent interactions (NCIs) in π-conjugated functional materials: advances and perspectives
Non-covalent interactions (NCIs) in π-conjugated functional materials: advances and perspectives Open
We describe the role of non-covalent intermolecular interactions in the design of π-conjugated functional materials. We highlight the opto-electronic applications of these materials related to their structural and photophysical properties.
View article: Synthesis of Mixed Arylalkyl Tertiary Phosphines via the Grignard Approach
Synthesis of Mixed Arylalkyl Tertiary Phosphines via the Grignard Approach Open
Trialkyl and triaryl phosphines are important classes of ligands in the field of catalysis and materials research. The wide usability of these low-valent phosphines has led to the design and development of new synthesis routes for a variet…
View article: CCDC 1842910: Experimental Crystal Structure Determination
CCDC 1842910: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: From Waste to Schiff Base: Upcycling of Aminolysed Poly(ethylene terephthalate) Product
From Waste to Schiff Base: Upcycling of Aminolysed Poly(ethylene terephthalate) Product Open
Recycling plastic waste into valuable materials is one of the contemporary challenges. Every year around 50 million tons of polyethylene terephthalate (PET) bottles are used worldwide. The fact that only a part of this amount is being recy…
View article: Synthesis and electrochemical properties of a nickel(II) thiacalix[4]arene-based electrocatalyst for the hydrogen evolution reaction
Synthesis and electrochemical properties of a nickel(II) thiacalix[4]arene-based electrocatalyst for the hydrogen evolution reaction Open
Thiacalix[4]arene with four sulfur-bridging atoms and four hydroxy coordinating groups in the lower rim is a promising candidate for powerful electrocatalytic hydrogen production. However, there are only a few examples reported in the lite…
View article: Heterometal Grafted Metalla-ynes and Poly(metalla-ynes): A Review on Structure–Property Relationships and Applications
Heterometal Grafted Metalla-ynes and Poly(metalla-ynes): A Review on Structure–Property Relationships and Applications Open
Metalla-ynes and poly(metalla-ynes) have emerged as unique molecular scaffolds with fascinating structural features and intriguing photo-luminescence (PL) properties. Their rigid-rod conducting backbone with tunable photo-physical properti…