Pressure regulated basis for gene transcription by delta-cell micro-compliance modeled in silico: Biphenyl, bisphenol and small molecule ligand models of cell contraction-expansion

Abstract

Molecular diameter, lipophilicity and hydrophilicity exclusion affinity limits exist for small molecule carrier-mediated diffusion or transport through channel pores or interaction with the cell surface glycocalyx. The molecular structure lipophilicity limit for non-specific carriermediated transmembrane diffusion through polarity-selective transport channels of the cell membrane is L external structure � H polar group-1 of � 1.

Molecular biophilicity modeling of soluble small molecule properties in cell surface interaction and internalization

“…It is observed in this study that there exist alternating grades of molecular hydrophobicity within complex molecular structures, which require further normalization (de-weighting, weighting) as there is contribution of additional lipophilicity in biological interaction with cell membrane proteins for vdWD-excluded above a CM channel pore size of between vdWD 0.752-0.758 nm (vdWDpb: 0.630-0.635 nm). Thus, the methanol normal lipophilicity : hydrophilicity quotient (L • H polar group −1 : 2.75, Ch 3 OH) [41] is further developed in this study with normalization for alternating molecular biophilicity.…”

“…Another representative molecule studied herein is the RNA-dependent RNA polymerase (RdRp) inhibitor Remdesivir (GS-5734) has been shown to be effective as an antiviral agent for treatment of both Ebola and Coronavirus [82], which in its pro-drug form is poorly permeable (L•H − 1 : 0.751; vdWD: 0.987 nm); however, it would be internalizeable after proteolytic degradation by esterase and phosphodiesterase with resultant metabolite, GS-704277 (L•H − 1 : 0.165; vdWD: 0.731 nm) via either a Cav-AP mechanism or as a channel transport substrate with a vdWD < 0.764 nm, epliptical sphere volume diameter [41]. Another example is of CM channel poreexcluded molecule is Cypate (NH 3+ IS COO − ; L • H − 1 : 2.23), a dual heterocyclic pyridine-based NIR uorescence imaging probe, that when functionalized with glycosylate glucosamine (Cyp-2GlcN; L • H − 1 : 0.370) with pyrrolidine interior structure similar to oxane (1.75 nm − 1 ) and weighted part structure exterior dimethyl group (3.10 nm − 1 ; Fig.…”

Bioengineered Nanoparticle and Environmental Particulate Matter Toxicity: Mechanisms, Regulations and Applications

“…The experimental data on the transfected overexpression of the divalent influx transporter gene, DMT1, that transports Mn 2+ present at increased local concentration in SH-SY5Y pre-differentiated neuroblastoma neuronal cell line show the effects of Manganese (Mn 2+ ) in comparison to ferrous Iron (Fe 2+ ) with more of an initial shift in cell compliance (P eff C, a.u.) to the phosphorylation of the c-JUN AP1 transcription factor terminal kinases [123], and towards the resultant p53-mediated R-shift for activation of the Bax-, Bad-and Bim-apoptosis cascade, and/or DNA repair and cell cycle changes. For Manganese, i) the negative electrical potential and neutral pH favors its ionic and soluble form; and ii) it is the presence of efflux channel and certain cell surface internalization receptors that results in its initial effect followed by its later apoptosis-related toxicity to basal ganglia cell types.…”

Retraction: Pressure regulated basis for gene transcription by delta-cell micro-compliance modeled in silico: Biphenyl, bisphenol and small molecule ligand models of cell contraction-expansion

“…After this article [ 1 ] was published, the corresponding author contacted PLOS ONE to request corrections. The author advised that he did not intend for [ 1 ] to be published in its current online form, and that the article should be retracted in the event that the requested revisions could not be incorporated into the published version of the article.…”