Pharmacological and computational evaluation of fig for therapeutic potential in hyperactive gastrointestinal disorders

Abstract

BackgroundFicus palmata (Fig), are distributed in different parts of the world, and are used in traditional medicine to treat various ailments including inflammation, tumor, epilepsy, jaundice, influenza and bacillary dysentery. The present study aimed to evaluate the antidiarrheal, antisecretary, antispasmodic, antiulcer and anti motility properties of Ficus palmata.MethodsIn-vivo, in-vitro and in-silico techniques were used to investigate various gastrointestinal effects of Ficus palmata. Antidiarrheal, antisecretary, antispasmodic, antiulcer, anti motility and molecular docking were performed using castor oil induced diarrhea and fluid accumulation, isolated tissue preparations, ethanol-HCl induced ulcer assay, charcoal meal transit time and Auto Doc Vina.ResultsFicus palmata crude extract (Fp.Cr) exhibited protection against castor oil-induced diarrhea in mice and dose-dependently inhibited intestinal fluid secretions. Fp.Cr caused relaxation of spontaneous and K+ (80 Mm)-induced contractions in isolated rabbit jejunum preparations. It showed protective effect against gastric ulcers induced by ethanol-hydrochloric acid in rats. Fp.Cr reduced distance travelled by charcoal meal in the gastrointestinal transit model in mice. The plant constituents: psoralenoside and bergapten showed high binding affinities (E-value ≥ − 6.5 Kcal/mol) against histaminergic H1, calmodulin and voltage gated L-type calcium channels, while showed moderate affinities (E-value ≥7 Kcal/mol) against dopaminergic D2, adrenergic α1, muscranic M3, mu-opioid, whereas revealed lower affinities (E-value ≥9.5 Kcal/mol) vs. muscranic M1, histaminergic H2 and H+/K+ ATPase pump. Germanicol acetate and psoralene exhibited weak affinities against aforementioned targets.ConclusionThis study reveals that Ficus palmata possesses anti-diarrheal, anti-secretory, anti-spasmodic, anti-motility and anti-ulcer activities. The various constituents reveal different binding affinities against target proteins, which mediate the gastrointestinal functions.

In Vivo and In Silico Studies of Flavonoids Isolated from Pistacia integerrima as Potential Antidiarrheal Agents

“…Loperamide is a synthetic piperidine moiety-based opioid that binds to intestinal mu-opiate receptors (μORs) . Targeting mu- and delta-opioid receptors leads to inhibition of diarrhea. , Hence, we performed docking simulations on μOR and δOR. We have performed docking simulations using MOE (2016.0802).…”

In Silico, Molecular Docking and In Vitro Antimicrobial Activity of the Major Rapeseed Seed Storage Proteins

“…The theoretical conformation of the ligands with the highest biological activity is presented in Table 3 and Figure 3 with favorable contacts with the attachment site presented. The docked structures were examined by using Discovery Studio 4.5 Visualizer ( Jia et al, 2015 ; Rehman et al, 2018 ; Bai et al, 2019 ; Riaz et al, 2019 ) and Chimera 1.9 ( Withana-Gamage et al, 2011 ; Nietzel et al, 2013 ; Withana Gamage, 2013 ).…”

“…Assessment of the top ten conformations were completed and the conformation having the lowest atomic energy value (Kcal/mol) was processed for post dock analysis using Biovia Discovery Studio 4.5 64-bit client. Hydrogen bond and non-bond interactions were then added (Riaz et al, 2019). Assessment of the two-dimensional design was undertaken to check the most extreme restricting interactions of the complex framed amongst amino acid residues and ligands.…”

“…The theoretical conformation of the ligands with the highest biological activity is presented in Table 3 and Figure 3 with favorable contacts with the attachment site presented. The docked structures were examined by using Discovery Studio 4.5 Visualizer (Jia et al, 2015;Rehman et al, 2018;Bai et al, 2019;Riaz et al, 2019) and FIGURE 1 | (A) Protein motif analysis of antimicrobial signatures (shown in the same color) in napin genes using the PRINTS database. BNANAPINA = Q7DMU4_BRACM = Napin (Q7DMU4) from Brassica campestris; 2SS1_BRANA = Napin-1 (P01091), 2SSI_BRANA = Napin-1A (P24565), 2SSB_BRANA = Napin-B (P27740), 2SS2_BRANA = Napin-2 (P01090), 2SS3_BRANA = Napin-3 (P80208) and 2SSE_BRANA = Napin embryo-specific protein (P09893) are from Brassica napus, ALL1_SINAL = Allergen Sin a 1 (P09893) is from Sinapis alba, and 2SS2_CAPMA = Sweet protein mabinlin-2 (P30233) and 2SS4_CAPMA =Sweet protein mabinlin-4 (P80353) are from Capparis masaikai.…”

Identification and Purification of Potential Bioactive Peptide of Moringa oleifera Seed Extracts

“…A total of 2173 peptides were notorious and eluted, and further tested in vitro for antimicrobial activity; the peptide sequences were screened using an in silico platform for pediocin protein and peptide profiling, and developed QS 3.0 software (Applied Biosystems, Seoul, Korea) was used to predict potential antimicrobial peptides (AMP). Although many potential antimicrobial inhibitory peptides were identified, peptides FFFLLTN, SGGGPS, PPLLQQCCNEL, KAVKQQIQQQGQQQGKQQMVSR, and GPQQRPPLLQQCCNELHQEEP (Figure 4) (Supplementary Table S1) were most abundant, which showed the strongest antimicrobial activity (0.207 µg) of <7.5 kDa fraction [8,15,16]. As Moringa coagulant protein has been reported as a complement to the chemicals in drinking water treatment process, the present study reveals that the antimicrobial property of Moringa extract provides a good substitute to treat water, thereby reducing the risk of infection caused by water contamination.…”