Predictive modeling of chemical toxicity towards Pseudokirchneriella subcapitata using regression and classification based approaches

Pramanik, Subrata; Roy, Kunal

doi:10.1016/j.ecoenv.2013.12.030

Cited by 7 publications

(4 citation statements)

References 48 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Considering the drug activity of the title compounds (Akgul et al, 2007), (I) was found to be more active than the others, while (II) and (III) show equal and weak activity compared with (I). In addition, the toxicity of aromatic compounds is higher than that of non-aromatics (Pramanik & Roy, 2014). Although (I) does not show any neurotoxic effect, (II) and (III) do show neurotoxicity.…”

Section: Figurementioning

confidence: 90%

Positional isomeric effect on the crystallization of chlorine-substitutedN-phenyl-2-phthalimidoethanesulfonamide derivatives

et al. 2015

View full text Add to dashboard Cite

The ortho-, para- and meta-chloro-substituted N-chlorophenyl-2-phthalimidoethanesulfonamide derivatives, C16H13ClN2O4S, have been structurally characterized by single-crystal X-ray crystallography. N-(2-Chlorophenyl)-2-phthalimidoethanesulfonamide, (I), has orthorhombic (P2(1)2(1)2(1)) symmetry, N-(4-chlorophenyl)-2-phthalimidoethanesulfonamide, (II), has triclinic (P1¯) symmetry and N-(3-chlorophenyl)-2-phthalimidoethanesulfonamide, (III), has monoclinic (P2(1)/c) symmetry. The molecules of (I)-(III) are regioisomers which have crystallized in different space groups as a result of the differing intra- and intermolecular hydrogen-bond interactions which are present in each structure. Compounds (I) and (II) are stabilized by N-H···O and C-H···O hydrogen bonds, while (III) is stabilized by N-H···O, C-H···O and C-H···Cl hydrogen-bond interactions. The structure of (II) also displays π-π stacking interactions between the isoindole and benzene rings. All three structures are of interest with respect to their biological activities and have been studied as part of a programme to develop anticonvulsant drugs for the treatment of epilepsy.

show abstract

Section: Figurementioning

confidence: 90%

Positional isomeric effect on the crystallization of chlorine-substitutedN-phenyl-2-phthalimidoethanesulfonamide derivatives

et al. 2015

View full text Add to dashboard Cite

show abstract

“…The low MW Compounds have low WPSA1 values and low toxicities. Higher toxicity of the high MW compounds in P. subcapitata has been reported in other study (Pramanik and Roy, 2014). TPSA is defined as the part of the surface area of the module associated with N, O, and S, and is H bonded to any of these atoms (Ertl et al, 2000).…”

Section: Mechanistic Interpretation Of Qstrsmentioning

confidence: 92%

Predicting aquatic toxicities of chemical pesticides in multiple test species using nonlinear QSTR modeling approaches

Basant¹,

Singh

2015

Chemosphere

View full text Add to dashboard Cite

“…Structure-based drug design (SBDD) is rapidly growing with the development of new technologies (e.g., high-throughput screening, molecular docking, pharmacophore mapping, quantitative structure-activity/property/toxicity relationship (QSAR/QSPR/QSTR), and virtual screening) to interpret, guide, and advance experimental biomedical research to achieve success in anti-cancer drug discovery [186][187][188][189][190]. SBDD methods analyze threedimensional (3D) structures of macromolecule, typically of proteins or RNA, to identify key sites and interactions, which are important for their specific biological functions [187].…”

Section: Therapeutic Options Against Tumorigenic Fam72: Chemotherapymentioning

confidence: 99%

FAM72, Glioblastoma Multiforme (GBM) and Beyond

Rahane

Pramanik

et al. 2021

Cancers

Self Cite

View full text Add to dashboard Cite

Neural stem cells (NSCs) offer great potential for regenerative medicine due to their excellent ability to differentiate into various specialized cell types of the brain. In the central nervous system (CNS), NSC renewal and differentiation are under strict control by the regulation of the pivotal SLIT-ROBO Rho GTPase activating protein 2 (SRGAP2)—Family with sequence similarity to the 72 (FAM72) master gene (i.e., |-SRGAP2–FAM72-|) via a divergent gene transcription activation mechanism. If the gene transcription control unit (i.e., the intergenic region of the two sub-gene units, SRGAP2 and FAM72) gets out of control, NSCs may transform into cancer stem cells and generate brain tumor cells responsible for brain cancer such as glioblastoma multiforme (GBM). Here, we discuss the surveillance of this |-SRGAP2–FAM72-| master gene and its role in GBM, and also in light of FAM72 for diagnosing various types of cancers outside of the CNS.

show abstract

Predictive modeling of chemical toxicity towards Pseudokirchneriella subcapitata using regression and classification based approaches

Cited by 7 publications

References 48 publications

Positional isomeric effect on the crystallization of chlorine-substitutedN-phenyl-2-phthalimidoethanesulfonamide derivatives

Positional isomeric effect on the crystallization of chlorine-substitutedN-phenyl-2-phthalimidoethanesulfonamide derivatives

Predicting aquatic toxicities of chemical pesticides in multiple test species using nonlinear QSTR modeling approaches

FAM72, Glioblastoma Multiforme (GBM) and Beyond

Contact Info

Product

Resources

About