Results 51 to 60 of about 452,634 (352)
Recent studies of docking and molecular dynamics simulation for liquid‐phase enantioseparations [PDF]
ELECTROPHORESIS, 2019 AbstractLiquid‐phase enantioseparations have been fruitfully applied in several fields of science. Various applications along with technical and theoretical advancements contributed to increase significantly the knowledge in this area. Nowadays, chromatographic techniques, in particular HPLC on chiral stationary phase, are considered as mature ...
Peluso, Paola +4 more
openaire +5 more sources
Molecules, 2022 Cannabinoid receptor ligands are renowned as being therapeutically crucial for treating diverse health disorders. Phenylspirodrimanes are meroterpenoids with unique and varied structural scaffolds, which are mainly reported from the Stachybotrys genus ...
Abdelsattar M. Omar +4 more
doaj +1 more source
, 2012 A rigorous formalism for estimating noncovalent binding free energies and thermodynamic expectations from calculations in which receptor configurations are sampled independently from the ligand is derived.
Minh, David D. L.
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Deciphering of interactions between platinated DNA and HMGB1 by hydrogen/deuterium exchange mass spectrometry [PDF]
, 2017 A high mobility group box 1 (HMGB1) protein has been reported to recognize both 1,2-intrastrand crosslinked DNA by cisplatin (1,2-cis-Pt-DNA) and monofunctional platinated DNA using trans-[PtCl2(NH3)(thiazole)] (1-trans-PtTz-DNA).
Du, Zhifeng +9 more
core +2 more sources
Indonesian Journal of Chemistry, 2020 Erlotinib, Afatinib, and WZ4002 are quinazoline derivative compounds and classified as first, second, and third-generation EGFR inhibitor. All inhibitors have been given directly to cancer patients for many years but find some resistance.
Herlina Rasyid +2 more
doaj +1 more source
Biological evaluations of novel 2,3,3-Trisphosphonate in osteoclastic and osteoblastic activities [PDF]
, 2017 Bisphosphonates (BPs) are the first line treatment for many bone diseases including hypercalcimia associated with bone malignancies. In this paper, we introduce a new analogue of bisphosphonate called the 2,3,3-Trisphosphonate (2,3,3-TriPP) that was ...
Boccaccini, Aldo R. +4 more
core +2 more sources
Predicting HLA-Specific Drug Hypersensitivity with Molecular Docking and Molecular Dynamics Simulations [PDF]
Biophysical Journal, 2014 Adverse drug reactions are a leading cause of morbidity and mortality with estimated annual in-patient costs of over $100 billion in the US alone. A growing number of the most sever adverse reactions, termed idiosyncratic hypersensitivities, are observed to be immune system mediated with genetic associations to specific patient human leukocyte antigen (
Xin-Qiu Yao, Barry J. Grant
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Journal of King Saud University: Science, 2020 The compound ‘3,5,7,3′,5′-pentahydroxy-flavanonol-3-O-α-L-rhamnopyranoside’ reported from Bauhinia strychnifolia Craib (family Fabaceae) possess ten times more cytotoxicity against certain cancer cell line than the anti-cancer drugs, but nontoxic to ...
Mohammad Ajmal Ali
doaj
Exploration of Phytoconstituents From and as Potential Therapeutics Against SARS-CoV-2 RdRp
Bioinformatics and Biology Insights, 2021 Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) worldwide has increased the importance of computational tools to design a drug or vaccine in reduced time with minimum risk.
Khushboo Pandey +4 more
doaj +1 more source
Virtual Screening of Plant Volatile Compounds Reveals a High Affinity of Hylamorpha elegans (Coleoptera: Scarabaeidae) Odorant-Binding Proteins for Sesquiterpenes From Its Native Host [PDF]
, 2016 Indexación: Web of ScienceHylamorpha elegans (Burmeister) is a native Chilean scarab beetle considered to be a relevant agricultural pest to pasture and cereal and small fruit crops.
Ana Mutis +18 more
core +1 more source