Network-Pharmacology and DFT Based Approach Towards Identification of Leads from Homalomena aromatica for Multi-Target In-Silico Screening on Entamoeba histolytica Proteins

Background: Entamoeba histolytica is the primary protozoan that causes amoebic dysentery and is prioritized as the third most prevalent protozoan causing parasitosis. Drug of choice in amoebic dysentery is metronidazole but it has unpleasant side effects with reports of development of resistance in certain cases. Homalomena aromatica Schott. is a plant which is used in different ethnomedicinal practices of South-east Asia to treat stomach ailments against intestinal parasites. Objective: the present study, a docking weighted network pharmacology-based approach was employed to understand the effects of a library of 71 natural molecules reported from Homalomena aromatica with reference to four proteins of Entamoeba histolytica namely thioredoxin reductase, cysteine synthase, glyceraldehyde-3-phosphate dehydrogenase, and ornithine decarboxylase. Method: Molecular docking of the phytoconstituents of H. aromatica was performed in Biovia Discovery Studio 2017 R2 software suite on the selected proteins of E. histolytica. A connection was established between the proteins and molecules through network pharmacology weighted docking studies with the help of Cytoscape V3.4.0 software to select three molecules namely HM 7, HM 23 and HM 24 on the basis of the generated network between the molecules and targets. Quantum mechanics based Density Functional Theory (DFT) analysis was performed on the filtered molecules to ascertain their viability with respect to LUMO-HOMO orbital energies of the filtered molecules. Results: On the basis of the docking studies of the natural molecules on the selected protein targets, a network of molecules was built. DFT based minimum energy gap was analysed to further ascertain the most potential inhbitors. Three molecules from H. aromatica; 3,7-dimethylocta-1,6-dien-3- yl acetate, α -methyl-α-(4-methyl-3-pentenyl)-oriranemethanol, and 7-octadiene-2,6-diol-2,6- dimethyl were predicted to be potential lead molecules against amoebiasis. Conclusion: The present study provides important evidence for the development of new drug molecules to treat amoebiasis.

Amoebic infections

Two very different groups of amoebic species infect humans. (1) Obligate anaerobic gut parasites, including the major pathogen Entamoeba histolytica, which causes amoebic dysentery and amoebic liver abscess. Infection is especially common in Mexico, South America, Africa and South-east Asia; nearly all cases in temperate countries is acquired elsewhere. Other gut amoebae are Dientamoeba fragilis (which causes relatively mild colonic involvement with diarrhoea), and eight non-pathogenic species including Entamoeba dispar. (2) Aerobic free-living, water and soil amoebae– Naegleria, Acanthamoeba and Balmuthua, which can become facultative tissue parasites in humans after cysts or trophozoites are inhaled, ingested, or enter damaged skin, cornea or mucosae: they may cause primary amoebic meningo-encephalitis, amoebic keratitis or brain abscess.

PERBEDAAN KEPADATAN LALAT YANG HINGGAP PADA FLY GRILL YANG BERBEDA WARNA DI PAJAK SINGA KOTA KABANJAHE KABUPATEN KARO TAHUN 2018

Flies are Arthropoda insects that belong to the order of Diptera. Flies can transmit the disease through allthe limbs such as feces, vomit, body hair, limb hair and especially on the legs that have fine hairs so that theseeds of the disease can stick. Flies have a life activity interacting with a place that is a habitat for diseasessuch as trash, feces and carcasses. Plus its ability to fly 1-2 miles of several species of flies can spreadseveral diseases such as Thgypoid Fever, Parathypoid, bacillary dysentery, amoebic dysentery, and severaleye diseases from various places that have been visited. Flies are insects in general having sensitivity todifferent light wavelengths (colors). This research is a field experiment and includes a Pre Experiment that isPostest Only Design which aims to analyze differences in the density of flies that land on Fly Grill which aredifferent colors in Singa Kabanjahe Tax to plan control efforts which are about when, where and howcontrol will be carried out. in the Singa Kabanjahe Tax TPS for 10 days and the number of flies perched withdifferent fly grill colors (orange, pink, light blue, light green and yellow) for 30 seconds, calculating 10 timesthe calculation with the highest average. The data obtained were analyzed by ANOVA test with an error rateof 0.05. From the ANOVA test data with = 0.05 shows p = 0.221, which means that there is no difference indensity of flies perched on a different color fly grill. The average density of flies, from the lowest to thehighest is as follows: fly grill in orange, light green, light blue, pink and yellow ... The conclusion that can bedrawn is that flies do not like orange, light green and light blue. Meanwhile, the color favored by flies isyellow

Prevalence of amoebic dysentery and giardiasis in Al-Najaf

The infestation with amoebic dysentery and giardiasis in the intestine play an important role in the human health deficiency in Al-Najaf since the infections may lead to gastroenteritis in human. To learn about the range of extending amoebic dysentery and giardiasis in people ( male and female ) which their ages range (1-50 ) years old this study was established for 7 months (January 2018 to July 2018) in Al-Najaf. A total of 377 patient examined in this study,119 infections Giardia lamblia and 258 infections Entamoeba histolytica, Results indicated that the highest infection was 16.3 in age range (31-40 ) in male patients infected with giardiasis, and in amoebic dysentery also the highest infection was 17.8 in age range (31-40) in male . its referred that no significant differences between Entamoeba histolytica and Giardia lamblia according to age (31-40) in male. As The results indicated that the rate of infection in males is higher than females in all age and in both parasites. The results recorded the highest rate of infection in both parasites during the months of the study in July reaching 12.9 in Giardia lamblia and 19.2 in Entamoeba histolytica , This is evidence of significant differences between Giardia lamblia and Entamoeba histolytica in infections during the months of the study, Where the rate of infection was increased in the amoebic dysentery reaching(16.3 in April),(19.4 in May and June) and (19.7 July ) respectively.