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In Silico Investigation against Inhibitors of Alpha-Amylase Using Structure-based Screening, Molecular Docking, and Molecular Simulations Studies
Type-II diabetes mellitus is a chronic disorder that results from fluctuations in the glucose level leading to hyperglycemia with severe adverse...
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Molecular Dissection of the Clathrin-Endocytosis Machinery in Plants
In the last few years, the endocytic vesicular uptake in plant cells has gained increasing significance in several physiological processes....
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Molecular Techniques
PCR is defined as the DNA replication in vitro. It was developed by Kary Mullis in 1983 and received Nobel Prize for chemistry in 1993. PCR is used...
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Molecular Marker: Genetic Improvement and Conservation of Industrial Crops
Molecular markers are of paramount importance in the field of crop enhancement as they facilitate the recognition and selection of favourable...
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Molecular Dynamics and Other HPC Simulations for Drug Discovery
High performance computing (HPC) is taking an increasingly important place in drug discovery. It makes possible the simulation of complex biochemical...
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Network pharmacology, molecular docking, and molecular dynamics simulation to elucidate the mechanism of anti-aging action of Tinospora cordifolia
Scientific research has demonstrated that Tinospora cordifolia acts as an anti-aging agent in several experimental models, generating global interest...
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Genomic and Molecular Analyses of Transporters in the Male Gametophyte
The major events of male reproductive development and function have been known for years, but the molecular and cellular bases of these processes...
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Molecular Dynamics Simulations of Chemically Modified Ribonucleotides
Post-transcriptional modifications are crucial for RNA function, with roles ranging from the stabilization of functional RNA structures to modulation...
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Severe fever with thrombocytopenia syndrome virus from ticks: a molecular epidemiological study of a patient in the Republic of Korea
Severe fever with thrombocytopenia syndrome (SFTS) is a tick-borne infectious disease caused by Dabie bandavirus , commonly called SFTS virus (SFTSV)....
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Molecular Markers for Mutant Characterization
Mutants are either obtained spontaneously or artificially induced frequently in various organisms to serve several purposes like expanding the...
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High-Throughput Structure-Based Drug Design (HT-SBDD) Using Drug Docking, Fragment Molecular Orbital Calculations, and Molecular Dynamic Techniques
Structure-based drug design (SBDD) is rapidly evolving to be a fundamental tool for faster and more cost-effective methods of lead drug discovery....
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Association study between some cultivated species and their wild relatives from Apiaceae, Asteraceae and Brassicaceae families based on molecular and DNA barcoding in Egypt
Concerns about food security worldwide have been raised due to the adverse impacts of climate change on agricultural productivity. Utilizing wild...
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Synthesis, Biological Evaluation, Molecular Docking, and Molecular Dynamic Simulation Studies of Some New 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine (Trimethoprim) Derivatives via Modified Mannich-Type Reaction
AbstractObjective: This article is focused on synthesis and characterisation of...
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Molecular Markers in Pteridophytes
Identification and classification of lifeforms is an elementary step in knowledge generation and biodiversity management. Traditionally, taxonomical...
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Three-dimensional quantitative structural-activity relationship and molecular dynamics study of multivariate substituted 4-oxyquinazoline HDAC6 inhibitors
3D-QSAR models were established by collecting 46 multivariate-substituted 4-oxyquinazoline HDAC6 inhibitors. The relationship of molecular structure...
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Plant Adaptations and Molecular Responses to Salt Stress
This chapter offers an overview of the mechanisms that underlie plant salt tolerance, while acknowledging their complexity and the resulting growth...
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A structure-based virtual high-throughput screening, molecular docking, molecular dynamics and MM/PBSA study identified novel putative drug-like dual inhibitors of trypanosomal cruzain and rhodesain cysteine proteases
Virtual screening a collection of ~ 25,000 ChemBridge molecule collection identified two nitrogenous heterocyclic molecules, 12 and 15 , with...
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Molecular Approach and Genomic Tools
Recent research on bacteriocins has shown their wide-ranging potential, such as in food and biomedical applications. The molecular approach to...
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Synthesis, molecular docking and molecular dynamics simulations, drug-likeness studies, ADMET prediction and biological evaluation of novel pyrazole-carboxamides bearing sulfonamide moiety as potent carbonic anhydrase inhibitors
Pyrazoles are unique bioactive molecules with a versatile biological profile and they have gained an important place on pharmaceutical chemistry....
