LitCovid-sentences  

PMC:7755033 / 16178-19655 JSONTXT 2 Projects

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Id Subject Object Predicate Lexical cue
T134 0-4 Sentence denotes 2.2.
T135 6-67 Sentence denotes Prediction of activity spectra for substances (PASS) analysis
T136 68-158 Sentence denotes PASS is an online web tool hosted at http://195.178.207.233/PASS/index.html (Ahmad, 2019).
T137 159-308 Sentence denotes Based on the structure–activity relationship with a known chemical entity, PASS analysis server predicts biological activities of chemical compounds.
T138 309-467 Sentence denotes The tool predicts the pharmacological behavior, mechanism of action and side effects such as mutagenicity, carcinogenicity, embryotoxicity and teratogenicity.
T139 468-622 Sentence denotes In the present study, PASS analysis was performed using OSIRIS Property Explorer version 4.5.1. (http://www.openmolecules.org/propertyexplorer/index.html)
T140 624-630 Sentence denotes 2.2.1.
T141 632-655 Sentence denotes Lipinski’s rule of five
T142 656-808 Sentence denotes The druglikeness of WS phytoconstituents was also assessed using Lipinski’s rule of five (Ertl et al., 2000; Lipinski et al., 1997; Veber et al., 2002).
T143 809-1052 Sentence denotes The parameters of druglikeness such as MW ≤500, logP ≤5, number of hydrogen bond donors (NOHNH) ≤5 and hydrogen bond acceptor sites (NON)≤10, topological polar surface area (TPSA) (≤140 Å2), and number of rotatable bonds (≤10) were determined.
T144 1053-1259 Sentence denotes In the present study, the druglikeness of selected WS phytoconstituents was analyzed using Molinspiration (http://www.molinspiration.com/cgi-bin/properties) and compared to that of standard reference drugs.
T145 1261-1267 Sentence denotes 2.2.2.
T146 1269-1279 Sentence denotes Veber rule
T147 1280-1351 Sentence denotes For oral bioavailability, membrane permeability is an important factor.
T148 1352-1488 Sentence denotes Polar surface area and number of rotatable bonds are two critical considerations for a compound to behave as a potential drug candidate.
T149 1489-1657 Sentence denotes With a reduction in polar surface area, permeation increases and with the increase in number of rotatable bonds permeation decreases significantly (Veber et al., 2002).
T150 1658-1778 Sentence denotes The following two criteria should be met by a potential drug candidate in order to obey Veber rules:≤10 rotatable bonds;
T151 1779-1850 Sentence denotes Polar surface area ≤140Å2 (or 12 or fewer H-bond donors and acceptors).
T152 1852-1858 Sentence denotes 2.2.3.
T153 1860-1872 Sentence denotes Ghose filter
T154 1873-2018 Sentence denotes Receptor binding, cellular uptake and bioavailability of drug molecules is strongly influenced by molecular lipophilicity and molar refractivity.
T155 2019-2269 Sentence denotes Both of them signify hydrophobic and dispersive (van der Waals) interactions (Ghose & Crippen, 1987) of a drug molecule and are employed in 3D-QSAR studies to evaluate the drug-like character of molecules under study (Viswanadhan et al., 1990, 1991).
T156 2270-2428 Sentence denotes The following are the qualifying parameters for a putative drug candidate as per Ghose filter:clogP range between -0.4 and 5.6, with an average value of 2.52;
T157 2429-2488 Sentence denotes MW range between 160 and 480, with an average value of 357;
T158 2489-2562 Sentence denotes Molar refractivity range between 40 and 130, with an average value of 97;
T159 2563-2632 Sentence denotes Total number of atoms between 20 and 70, with an average value of 48.
T160 2633-2805 Sentence denotes The above parameters should be kept in mind for testing hypothetically proposed compounds before any in vitro and in vivo experimentation (Ghose, 1987; Ghose et al., 1999).
T161 2807-2813 Sentence denotes 2.2.4.
T162 2815-2827 Sentence denotes Leadlikeness
T163 2828-2986 Sentence denotes According to Teague et al. (1999) compounds with MW in the range 250–350, a XLOGP3 value of <3.5 and <7 rotatable bonds satisfy the criteria for leadlikeness.
T164 2988-2994 Sentence denotes 2.2.5.
T165 2996-3005 Sentence denotes Egan rule
T166 3006-3131 Sentence denotes It is defined as compounds having TPSA > 131.6 Å or log p > 5.88 have drug-like character and properties (Egan et al., 2000).
T167 3133-3139 Sentence denotes 2.2.6.
T168 3141-3152 Sentence denotes Muegge rule
T169 3153-3477 Sentence denotes It states that compounds having MW between 200 and 600, XLogP between −2 and 5, TPSA < 150, no. of rings < 7, no. of carbon atoms >4, no. of heteroatoms > 1, no. of rotatable bonds < 15, no. of H-bond acceptors < 10, no. of H-bond donors < 5 are found to obey Muegge rule and behave as potential drugs (Muegge et al., 2001).