Structural insights into the origin of phosphoinositide 3-kinase inhibition
Class I phosphoinositide 3-kinases (PI3Ks) are currently considered as significant targets for
the development of novel pharmaceuticals to treat cancers and inflammatory diseases …
the development of novel pharmaceuticals to treat cancers and inflammatory diseases …
Computational modeling and molecular dynamics studies of methyl sulfonyl acetate derivatives as potent SmTGR inhibitors: insights into binding interactions
Schistosomiasis, a neglected tropical disease caused by flatworms of the Schistosoma
genus, can lead to severe health complications such as Hepatosplenomegaly, intestinal …
genus, can lead to severe health complications such as Hepatosplenomegaly, intestinal …
Proteochemometric method for pic50 prediction of flaviviridae
Viruses remain an area of concern despite constant development of antiviral drugs and
therapies. One of the contributors is the Flaviviridae family of viruses causing diseases that …
therapies. One of the contributors is the Flaviviridae family of viruses causing diseases that …
Exploring the origin of phosphodiesterase inhibition via proteochemometric modeling
The phosphodiesterase (PDE) superfamily, including all PDE families and subfamilies, are
often implicated in diverse physiological disorders thereby making their selective inhibition …
often implicated in diverse physiological disorders thereby making their selective inhibition …
Probing the origin of dihydrofolate reductase inhibition via proteochemometric modeling
S Hariri, JB Ghasemi, F Shirini… - Journal of …, 2019 - Wiley Online Library
Dihydrofolate reductase (DHFR) is an essential enzyme in the folate metabolism pathway
and an important target of antineoplastic, antimicrobial, antiprotozoal, and antiinflammatory …
and an important target of antineoplastic, antimicrobial, antiprotozoal, and antiinflammatory …
A novel proteochemometrics model for predicting the inhibition of nine carbonic anhydrase isoforms based on supervised Laplacian score and k-nearest neighbour …
E Nazarshodeh, R Sheikhpour… - SAR and QSAR in …, 2018 - Taylor & Francis
Carbonic anhydrases (CAs) are essential enzymes in biological processes. Prediction of the
activity of compounds towards CA isoforms could be evaluated by computational techniques …
activity of compounds towards CA isoforms could be evaluated by computational techniques …
Proteochemometric modeling of the origin of thymidylate synthase inhibition
B Rasti, SS Shahangian - Chemical Biology & Drug Design, 2018 - Wiley Online Library
Due to its crucial role in DNA synthesis, thymidylate synthase (TS) has been considered as a
potential therapeutic target. Inhibition of the enzyme is a promising strategy for the treatment …
potential therapeutic target. Inhibition of the enzyme is a promising strategy for the treatment …
New insights into the selective inhibition of the β-carbonic anhydrases of pathogenic bacteria Burkholderia pseudomallei and Francisella tularensis: a …
Nowadays, antibiotic resistance has turned into one of the most important worldwide health
problems. Biological end point of critical enzymes induced by potent inhibitors is recently …
problems. Biological end point of critical enzymes induced by potent inhibitors is recently …
Quantitative Characterization of the Chemical Space Governed by Human Carbonic Anhydrases and selenium-containing derivatives of solfonamides
B Rasti - Brazilian Journal of Pharmaceutical Sciences, 2022 - SciELO Brasil
Due to the fact that different isoforms of carbonic anhydrase play distinct physiological roles,
their diseases/disorders involvement are different as well. Involvement in major disorders …
their diseases/disorders involvement are different as well. Involvement in major disorders …
Probing the chemical interaction space governed by 4-aminosubstituted benzenesulfonamides and carbonic anhydrase isoforms
B Rasti, YE Heravi - Research in Pharmaceutical Sciences, 2018 - journals.lww.com
Isoform diversity, critical physiological roles and involvement in major diseases/disorders
such as glaucoma, epilepsy, Alzheimer's disease, obesity, and cancers have made carbonic …
such as glaucoma, epilepsy, Alzheimer's disease, obesity, and cancers have made carbonic …