Research Article

[Retracted] Identification of Potential Poly (ADP-Ribose) Polymerase-1 Inhibitors Derived from Rauwolfia serpentina: Possible Implication in Cancer Therapy

Table 2

Physicochemical properties of the selected ligands derived from R. serpentina.

Sl. no.NameMol weightcLog PcLog SH-acceptorsH-donorsPolar surface areaDrug-likenessMutagenicTumorigenicReproductive effectiveIrritantRotatable bonds

1Serpentinine685.8422.4747−6.14792100.531.3453NoneNoneNoneNone7
2Rescinnamine634.7233.9046−4.816111117.780.21574NoneNoneHighNone11
3Rescinnamidine636.7394.0279−4.681111117.78-1.0959NoneNoneHighNone12
4Phytosterols414.7157.8552−6.6691120.23-4.475NoneNoneNoneNone6
5Ajmalimine520.6243.5094−5.1188180.73.4909NoneNoneNoneLow7
6Deserpidine578.663.6454−4.428101108.552.322NoneNoneNoneNone9
7Ajmalicine352.4332.2674−3.1415154.562.6043NoneNoneNoneNone2
8Reserpine608.6863.5754−4.446111117.782.322NoneNoneHighNone10
9Renoxidine624.6852.602−2.277121131.61-2.8747NoneNoneHighNone10
10Yohimbine354.4482.3512−3.0655265.561.5035NoneNoneNoneNone2
11Isorauhimbine354.4482.3512−3.0655265.561.5035NoneNoneNoneNone2
12Rauwolscine354.4482.3512−3.0655265.561.5035NoneNoneNoneNone2
131,2-Dihydrovomilenine352.4331.8244−3.6545261.81.1872NoneNoneNoneNone2