References
- Badesch DB, Champion HC, Sanchez MA, et al. (2009). Diagnosis and assessment of pulmonary arterial hypertension. J Am Coll Cardiol 54:S55–66
- Doe C, Bentley R, Behm DJ, et al. (2007). Novel Rho kinase inhibitors with anti-inflammatory and vasodilatory activities. J Pharm Exp Ther 320:89–98
- Duong-Quy S, Bei Y, Liu Z, Dinh-Xuan AT. (2013). Role of Rho-kinase and its inhibitors in pulmonary hypertension. Pharmacol Ther 137:352–64
- Firestone S, Firestone LL, Ferguson C, Blanck D. (1993). Staurosporine, a protein kinase C inhibitor, decreases the general anesthetic requirement in Rana pipiens tadpoles. Anesth Analg 77:1026–30
- Goodsell DS, Olson AJ. (1990). Automated docking of substrates to proteins by simulated annealing. Proteins 8:195–202
- Halgren TA. (1996). Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J Comput Chem 17:490–519
- Kang H, Tang K, Liu Q, et al. (2013). HIM-herbal ingredients in-vivo metabolism database. J Cheminform 5:28
- Krieger E, Koraimann G, Vriend G. (2002). Increasing the precision of comparative models with YASARA NOVA – A self-parameterizing force field. Proteins 47:393–402
- Lee SK, Chang GS, Lee IH, et al. (2004). The PreADME: PC-based program for batch prediction of ADME properties. EuroQSAR 2004:9.5–10
- Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 46:3–26
- Liu J, Hu Y, Waller DL, et al. (2012). Natural products as kinase inhibitors. Nat Prod Rep 29:392–403
- Liu T, Lin Y, Wen X, et al. (2007). BindingDB: A web-accessible database of experimentally determined protein–ligand binding affinities. Nucleic Acids Res 35:D198–201
- Meng EC, Shoichet BK, Kuntz ID. (1992). Automated docking with grid-based energy evaluation. J Comput Chem 13:505–24
- Mysinger MM, Shoichet BK. (2010). Rapid context-dependent ligand desolvation in molecular docking. J Chem Inf Model 50:1561–73
- Noma K, Oyama N, Liao JK. (2006). Physiological role of ROCKs in the cardiovascular system. Am J Physiol Cell Physiol 290:C661–8
- Ntie-Kang F, Mbah JA, Mbaze LM, et al. (2013). CamMedNP: Building the Cameroonian 3D structural natural products database for virtual screening. BMC Complement Altern Med 13:88
- Pullamsetti SS, Schermuly R, Ghofrani A, et al. (2014). Novel and emerging therapies for pulmonary hypertension. Am J Respir Crit Care Med 189:394–400
- Rowan SC, McLoughlin P. (2014). Hypoxic pulmonary hypertension: The paradigm is changing. Exp Physiol 99:837–8
- Sadowski J, Gasteiger J, Klebe G. (1994). Comparison of automatic three-dimensional model builders using 639 X-ray structures. J Chem Inf Comput Sci 34:1000–8
- Sandeep G, Nagasree KP, Hanisha M, Kumar MM. (2011). AUDocker LE: A GUI for virtual screening with AUTODOCK Vina. BMC Res Notes 4:445
- Shen JH, Xu XY, Cheng F, et al. (2003). Virtual screening on natural products for discovering active compounds and target information. Curr Med Chem 10:2327–42
- Shi J, Wei L. (2013). Rho kinases in cardiovascular physiology and pathophysiology: The effect of fasudil. J Cardiovasc Pharmacol 62:341–54
- Trott O, Olson AJ. (2010). AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading. J Comput Chem 31:455–61
- Wang B, Shen W, Yang H, et al. (2014). Targeting EGFR mutants with non-cognate kinase inhibitors in non-small cell lung cancer. Med Chem Res 23:4510--30
- Wang R, Fang X, Lu Y, Wang S. (2004). The PDBbind database: Collection of binding affinities for protein–ligand complexes with known three-dimensional structures. J Med Chem 47:2977–80
- Word JM, Lovell SC, Richardson JS, Richardson DC. (1999). Asparagine and glutamine: Using hydrogen atom contacts in the choice of side-chain amide orientation. J Mol Biol 285:1735–47
- Zhou P, Huang J, Tian F. (2012). Specific noncovalent interactions at protein–ligand interface: Implications for rational drug design. Curr Med Chem 19:226–38
- Zhou P, Wang C, Ren Y, et al. (2013). Computational peptidology: A new and promising approach to therapeutic peptide design. Curr Med Chem 20:1985–96
- Zhou P, Zou J, Tian F, Shang Z. (2009). Fluorine bonding – How does it work in protein–ligand interactions? J Chem Inf Model 49:2344–55