ライフサイエンスコーパス: polar surface area

1 esirable properties (high lipophilicity, low polar surface area).

2 bond donors/acceptors, rotatable bonds, and polar surface area.

3 g a formal positive charge and a low percent polar surface area.

4 ve correlation with the change in buried non-polar surface area.

5 ely correlated with an osmolyte's fractional polar surface area.

6 hydrophobic core and are composed of highly polar surface area.

7 versely correlated with buried total and non-polar surface area.

8 g duplex involving significant burial of non-polar surface areas.

9 n barrier permeability, achieved by reducing polar surface area and capping the sulfonamide.

10 For CYP2D6, a clear relationship between polar surface area and charge was observed, with the mos

11 w that mean values of lipophilicity, percent polar surface area and H-bond donor count are the same,

12 ization of molecular properties, such as the polar surface area and hydrophilicity, to reduce the cen

13 able bonds, provides the potential to shield polar surface area and reinforces binding through a rest

14 for readily by the small loss of buried non-polar surface area and we hypothesize that the observed

15 nclude the hydrophobic factor (burial of non-polar surface area) and van der Waals interactions toget

16 chemical properties (molecular surface area, polar surface area, and cLogP) were estimated computatio

17 lico models indicated that lipophilicity and polar surface area are key molecular features of OATP in

18 ated molecular weights, lipophilicities, and polar surface areas are presented, demonstrating the uti

19 Polar surface area burial also contributes substantially

20 form in the membrane and the solvent-exposed polar surface area correlate more poorly with PAMPA perm

21 Furthermore, the change in non-polar surface area correlated directly with the partitio

22 Reduced polar surface area correlates better with increased perm

23 l preferences of mOat1 are explained by high polar surface areas (e.g. phosphate groups), whereas mOa

24 a of (1) 10 or fewer rotatable bonds and (2) polar surface area equal to or less than 140 A(2) (or 12

25 average, in the burial of apolar surface or polar surface area, implying that van der Waals packing

26 tures, our work reveals that the topological polar surface area is the key feature for the discrimina

27 ree energy change proportional to buried non-polar surface area) is contrasted with the packing-desol

28 The polar surface area of the dye molecule takes a key role

29 d hERG activity was achieved by lowering the polar surface area of the P3 substituent while retaining

30 erage both the number of rotatable bonds and polar surface area or hydrogen bond count tend to increa

31 ed by the number of rotatable bonds, and low polar surface area or total hydrogen bond count (sum of

32 ubstrates, whereas H-bonding parameters like polar surface area (PSA) dominated for hOCT2.

33 of anions with >10% F falls from 85% if the polar surface area (PSA) is < or = 75 A(2), to 56% if 75

34 eluent and follows the reverse order of the polar surface area (PSA) of the analyte molecules.

35 eration assays was achieved by modulation of polar surface area (PSA) through the introduction of nov

36 ionship of rotatable bond count (N(rot)) and polar surface area (PSA) with oral bioavailability in ra

37 These analogs had calculated polar surface area (PSA), measured LogD7.4, aqueous kine

38 (log P), dissociation constant (pK(a)), and polar surface area (PSA), on the intercompound variabili

39 molecular weights up to and above 1 kDa and polar surface areas ranging toward 250 A(2).

40 erties such as molecular weight, topological polar surface area, rotatable bonds, and hydrogen bond d

41 ination of the number of rotatable bonds and polar surface area successfully categorized compounds.

42 , the number of H-bonds, and the topological polar surface area (TPSA) of the compounds.

43 assays, low lipophilicity, high topological polar surface area (tPSA), and poor bioavailability sugg

44 nt (log P) values of 4.5-5.0 and topological polar surfaces area (tPSA) values of approximately 26.0

45 Typically, compounds with high topological polar surface areas (TPSAs) do not cross the BBB passive

46 be necessary to limit both lipophilicity and polar surface area, translating to a need for small comp

47 analyte properties (lipophilicity, pKa, and polar surface area) using one preliminary experiment.