In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-021-00420-7
Abstract: Falcipain-2 (FP-2) is a Plasmodium falciparum hemoglobinase widely targeted in the search for antimalarials. FP-2 can be allosterically modulated by various noncompetitive inhibitors that have been serendipitously identified. Moreover, the crystal structures of two inhibitors… read more here.
Keywords: noncompetitive inhibitors; silico identification; site; falcipain ... See more keywords
In silico identification of genes involved in chronic metabolic acidosis
Sign Up to like & getrecommendations! Published in 2018 at "Life Sciences"
DOI: 10.1016/j.lfs.2017.11.014
Abstract: Aims: Chronic metabolic acidosis (CMA) refers to increased plasma acidity due to disturbed acid‐base equilibrium in human body. CMA leads to many dysfunctions including disorders of intestinal metabolism and barrier functions. The human body responds… read more here.
Keywords: genes involved; silico identification; identification genes; chronic metabolic ... See more keywords
In silico identification and evolutionary analysis of candidate genes involved in the biosynthesis methylproline genes in cyanobacteria strains of Iran
Sign Up to like & getrecommendations! Published in 2019 at "Phytochemistry Letters"
DOI: 10.1016/j.phytol.2018.12.011
Abstract: Abstract Cyanobacteria have the ability to produce a wide variety of natural bioactive compounds. In order to reveal the diversity of Cyanobacteria in Iran, and their potential to synthesise various natural products, we isolated 25 strains… read more here.
Keywords: evolutionary analysis; silico identification; identification evolutionary; analysis candidate ... See more keywords
In silico identification of new potentially active brassinosteroid analogues
Sign Up to like & getrecommendations! Published in 2018 at "Steroids"
DOI: 10.1016/j.steroids.2018.06.009
Abstract: HighlightsBrassinosteroid analogues may enhance plant growth by binding to BRI1 receptor.Molecular docking is a valuable tool to design new compounds with improved activity.Contact analysis, polar groups exposure and binding affinity suggest BRs activity. ABSTRACT Brassinosteroids… read more here.
Keywords: identification new; silico identification; potentially active; new potentially ... See more keywords
In silico identification of tetraspanins in monopisthocotylean (Platyhelminthes: Monogenea) parasites of fish
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Helminthology"
DOI: 10.1017/s0022149x22000098
Abstract: Abstract Tetraspanins are a superfamily of transmembrane proteins that in flatworms have structural roles in the development, maturation or stability of the tegument. Several tetraspanins are considered as potential candidates for vaccines or drugs against… read more here.
Keywords: monogenea parasites; tetraspanins monopisthocotylean; silico identification; identification tetraspanins ... See more keywords
In Silico Identification of a Key Residue for Substrate Recognition of the Riboflavin Membrane Transporter RFVT3
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b01020
Abstract: Due to its specific physicochemical properties (fluorescence, photosensitizing and redox reactions), the vitamin B2, also called riboflavin (RF), has been generating a lot of interest in nanotechnologies and bioengineering for the last decade. RF, by… read more here.
Keywords: identification key; silico identification; rfvt3; recognition ... See more keywords
In Silico Identification and Experimental Validation of Novel Anti-Alzheimer's Multitargeted Ligands from a Marine Source Featuring a "2-Aminoimidazole plus Aromatic Group" Scaffold.
Sign Up to like & getrecommendations! Published in 2018 at "ACS chemical neuroscience"
DOI: 10.1021/acschemneuro.7b00416
Abstract: Multitargeting or polypharmacological approaches, looking for single chemical entities retaining the ability to bind two or more molecular targets, are a potentially powerful strategy to fight complex, multifactorial pathologies. Unfortunately, the search for multiligand agents… read more here.
Keywords: validation novel; identification experimental; silico identification; group ... See more keywords
In silico identification of potential inhibitors targeting Streptococcus mutans sortase A
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Oral Science"
DOI: 10.1038/ijos.2016.58
Abstract: Dental caries is one of the most common chronic diseases and is caused by acid fermentation of bacteria adhered to the teeth. Streptococcus mutans (S. mutans) utilizes sortase A (SrtA) to anchor surface proteins to… read more here.
Keywords: potential inhibitors; silico identification; identification potential; streptococcus mutans ... See more keywords
In silico identification of a β2-adrenoceptor allosteric site that selectively augments canonical β2AR-Gs signaling and function
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2214024119
Abstract: Significance β2ARs are the primary targets for relieving bronchoconstriction in airway diseases such as asthma and COPD. Activation of airway smooth muscle (ASM) β2ARs promotes therapeutic effects (via β2AR-Gs pathway) that are constrained by β2AR… read more here.
Keywords: function; allosteric site; identification adrenoceptor; silico identification ... See more keywords
In silico identification of putative roles of food-derived xeno-mirs on diet-associated cancer
Sign Up to like & getrecommendations! Published in 2019 at "Nutrition and Cancer"
DOI: 10.1080/01635581.2019.1670854
Abstract: Abstract Aim: Dietary miRNAs in foods were recently suggested to be absorbed into the human circulation and engage in human gene regulation. This started a debate on their possible impacts on human diseases which need… read more here.
Keywords: xeno mirs; dietary mirnas; silico identification; cancer ... See more keywords
In silico identification and biological evaluation of a selective MAP4K4 inhibitor against pancreatic cancer
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Enzyme Inhibition and Medicinal Chemistry"
DOI: 10.1080/14756366.2023.2166039
Abstract: Abstract Inhibiting a specific target in cancer cells and reducing unwanted side effects has become a promising strategy in pancreatic cancer treatment. MAP4K4 is associated with pancreatic cancer development and correlates with poor clinical outcomes.… read more here.
Keywords: f389 0746; selective map4k4; pancreatic cancer; map4k4 ... See more keywords