Recent metabolomic developments for antimalarial drug discovery
L Mamede, F Fall, M Schoumacher, A Ledoux… - Parasitology …, 2022 - Springer
Malaria is a parasitic disease that remains a global health issue, responsible for a significant
death and morbidity toll. Various factors have impacted the use and delayed the …
death and morbidity toll. Various factors have impacted the use and delayed the …
Medicinal chemistry approaches for the discovery of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors as antimalarial agents
Malaria is a severe human disease and a global health problem because of drug-resistant
strains. Drugs reported to prevent the growth of Plasmodium parasites target various phases …
strains. Drugs reported to prevent the growth of Plasmodium parasites target various phases …
HeroMDAnalysis: an automagical tool for GROMACS-based molecular dynamics simulation analysis
Background & objective: Molecular dynamics simulations (MDS) using GROMACS are
among the commonly used computational experiments in the area of molecular biology and …
among the commonly used computational experiments in the area of molecular biology and …
Design, synthesis, spectroscopic characterization, in-vitro antibacterial evaluation and in-silico analysis of polycaprolactone containing chitosan-quercetin …
Aim of present study was to synthesize a novel chitosan-quercetin (CTS-QT) complex by
making a carbodiimide linkage using maleic anhydride as cross-linker and to investigate its …
making a carbodiimide linkage using maleic anhydride as cross-linker and to investigate its …
High-throughput virtual screening approach involving pharmacophore mapping, ADME filtering, molecular docking and MM-GBSA to identify new dual target inhibitors of Pf …
R Rawat, SM Verma - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
Emerging cases of drug resistance against Artemisinin combination therapies which are the
current and the last line of defense against malaria makes the situation very alarming. Due …
current and the last line of defense against malaria makes the situation very alarming. Due …
Design of Novel Imidazole Derivatives as Potential Non-nucleoside Reverse Transcriptase Inhibitors using Molecular Docking and Dynamics Strategies
Introduction Human Immunodeficiency Virus (HIV) has become an epidemic causing
Acquired Immunodeficiency Syndrome (AIDS). Highly Active Antiretroviral Therapy (HAART) …
Acquired Immunodeficiency Syndrome (AIDS). Highly Active Antiretroviral Therapy (HAART) …
Molecular docking, QSAR, pharmacophore modeling, and dynamics studies of some chromone derivatives for the discovery of anti-breast cancer agents against …
SA Arvindekar, S Mohole, A Patil, P Mane… - Journal of …, 2023 - Taylor & Francis
In search of new anti-breast cancer agents, the present study envisaged the design and
synthesis of a series of benzopyran-chalcones. All the synthesized compounds were …
synthesis of a series of benzopyran-chalcones. All the synthesized compounds were …
Design and synthesis of neoteric benzylidene amino-benzimidazole scaffolds for antioxidant and anti-inflammatory activity
Aim: To design a series of neoteric benzylidene amino-benzimidazole derivatives and to
synthesize and evaluate them for anti-inflammatory and antioxidant potential. Methods: The …
synthesize and evaluate them for anti-inflammatory and antioxidant potential. Methods: The …
Linker-assisted engineering of chimeric xylanase-phytase for improved thermal tolerance of feed enzymes
Biological enzymes are multifunctional macromolecules that can perform hundreds of
reactions simultaneously. An enzyme must possess specific characteristics to meet industrial …
reactions simultaneously. An enzyme must possess specific characteristics to meet industrial …
Design, synthesis and anti-Tb evaluation of chalcone derivatives as novel inhibitors of InhA
D LS, K MK, G Thamilselvan - Journal of Biomolecular Structure …, 2023 - Taylor & Francis
A series of halogenated chalcone derivatives were designed and developed for anti-
tubercular activity. Novel molecules were designed and in-silico screening were performed …
tubercular activity. Novel molecules were designed and in-silico screening were performed …