*Leishmaniasis ‐ General Aspects of a Stigmatized Disease*



#### **Table A2.**

*The 42 hits obtained from pharmacophore screening with their respective pharmacophore fit score, binding energies, and data sources.*

#### **Figure A6.**

*2D schematic diagram showing protein-ligands interaction of some leads at the active site of* Lm*TR. (A)* Lm*TR–Karatavicinol interaction profile, (B)* Lm*TR–Marmin interaction profile, (C)* Lm*TR–Pectachol interaction profile, and (D)* Lm*TR–Colladonin interaction profile.*


*All the hits showed good druglikeness. MW, molecular weight; No. HD, number of H-bond donors; Bio Sc, bioavailability score, No. HA, number of H-bond acceptors.*

#### **Table A3.**

*Physicochemical profiling of the 11 hit compounds.*


**Table A4.**

 *Pharmacological profiling of top 11 compounds characterized by gastrointestinal (GI) absorption, blood brain barrier (BBB) permeant, p-gp substrates, and cytochrome P450*

 *inhibitors.*
