Computational Exploration for Lead Compounds That Can Reverse the Nuclear Morphology in Progeria

Table 4

Different interactions rendered between the protein and the ligands.

S. number	Name of the compound	Hydrogen bonds < 3 Å				π-bonds	Van der Waals interactions
		Residue	atom	Ligand atom	Bond length
	Reference	Lys794; Arg791	HZ2; HH21	O21; O21	2.2; 1.9	His748; Tyr751; Trp803	Leu795, Asp797,; Lys853, Gly790,; Tyr861, Gly750,; Arg702, Tyr800
	Lonafarnib	Cys754; Tyr800	HG; HH	O5; N8	2.2; 2.1	Arg702, Asp797, Leu795,; Trp 803	Trp602, Tyr654,; Tyr705, Cys706,; His748, Gly750,; Phe753, Arg791,; Lys794, Val796,; Asp852, Lys853
	Hit 1	Arg791; Arg791; Lys794	HE; HH21; HZ2	O24; O24; O24	2.4; 2.0; 2.0	Arg702, Tyr751,; Cys754,; Tyr800; His862	Trp602, Ala651,; Tyr705, Cys706,; Tyr 705, His748,; Gly790, Leu795,; Asp797, Cys799,; Asp852, Lys856,; Tyr861
	Hit 2	Lys794; Arg791; Arg791	HZ2; HH21; HE	O10; O10; O10	2.6; 1.8; 1.9	Tyr800	Trp606, Tyr751,; Gly750, Cys754,; Leu795, Val796,; Asp797, Trp803,; Asp852, Lys853,; Trp803, Tyr861,; Tyr865