In Silico Potential of Turmeric (Cucurma longa) as Antibacterial Agent for Salmonella typhi

Indonesia is a tropical country that has a variety of endemic infectious diseases, one of these diseases is typhoid fever. Salmonella typhi is a bacterium that causes typhoid fever. Antibiotic treatment is often used but fails due to bacterial resistance to antibiotics. An alternative treatment is required to gradually substitute synthetic antibiotic. One of this potential is given by turmeric (Curcuma longa).The purpose of this research was to know the potential of turmeric as in silico antibacterial agent for Salmonella typhi using docking method. Docking result showed that the five compounds produced different values on the affinity and rmsd binding parameters. The highest affinity binding value was the Ciprofloxacin compound, the lowest was Bisdemethoxycurcumin compound. The highest rmsd value was Demethoxycurcumin, while the lowest was Xanthorrhizol, and the result revealed that all compounds have bioaffinity properties. Based on the results, three compounds derived from turmeric (demethoxycurcumin, bisdemethoxy curcumin and xanthorrizol) are still not effectively used as antibacterial agent for Salmonella typhi due to the absence of equality of amino acid residues between alternative compounds turmeric with compounds which has been clinically tested as a drug and ineffective use of receptor proteins that result in less optimal alternative compounds. Keywords: Turmeric, Antibacterial, Salmonella typhi, In Silico

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Potensi Daun Teh (Camellia sinensis) dan Daun Anting-anting Acalypha indica L. dalam Menghambat Pertumbuhan Salmonella typhi

JURNAL Al-AZHAR INDONESIA SERI SAINS DAN TEKNOLOGI ◽

10.36722/sst.v2i2.131 ◽

2013 ◽

Vol 2 (2) ◽

pp. 104

Author(s):

Nita Noriko

Keyword(s):

Camellia Sinensis ◽

Antibacterial Agent ◽

Leaf Extract ◽

Bacterial Resistance ◽

Inhibition Zone ◽

Salmonella Typhi ◽

The Body ◽

Microbiology Laboratory ◽

Clear Zone ◽

Acalypha Indica

Abstrak - Salmonella typhi adalah bakteri penyebab terjadinya penyakit typhus. Pengobatan menggunakan antibiotika menimbulkan resistensi jika dilakukan tidak tuntas terutama ketika sistem tubuh menurun. Pengobatan dengan menerapkan kearifan lokal merupakan salah satu alternatif dalam upaya penyembuhan. Daun teh (Camellia sinensis) dan daun anting-anting (Acalypha indica L) diduga mengandung tanin, suatu senyawa yang dapat berfungsi sebagai antibiotik. Tujuan dari penelitian ini adalah memperoleh informasi efektifitas ekstrak daun teh dan daun anting-anting sebagai antibakteri alami, khususnya S. typhi Penelitian dilakukan pada bulan Maret hingga Oktober 2012 di Laboratorium Mikrobiologi Universitas Al Azhar Indonesia. Tahapan penelitian terdiri dari pembuatan ekstrak daun teh dan anting-anting, pengujian adanya kandungan tanin, penumbuhan S. typhi dan uji antibakteri. Ekstrak daun diperoleh dengan cara perebusan dan pengeringan. Hasil penelitian menunjukkan bahwa ekstrak daun teh dan anting-anting berpotensi untuk dikembangkan sebagai antibiotik. Hal ini ditunjukkan dengan terbentuknya zona bening ketika dilakukan uji antibakteri. Kedua ekstrak daun tersebut positif mengandung tanin yang diduga berperan dalam penghambatan pertumbuhan S. typhi. Abstract - Salmonella typhi is a bacteria that caused typhus disease. The curation using chemical drugs may cause bacterial resistance if the treatment is not complete, especially when the system of the body decreases. Treatment with traditional medicine is one of alternative way for curing typhoid fever. Tea and Anting-anting leaves are suspected to contain tannin, a compound that can act as an antibiotic. The aim of the research is getting information about effectiveness of tea and anting-anting leaf extract as antibacterial agent specially S. thypi. Research were conducted from Maret until October 2012 in Microbiology Laboratory, Al Azhar Indonesia University. The steps incude collecting tea and anting-anting leaves, extracting tannin, testing for tannin, growing the bacteria, and testing the inhibition zone. Leaf extract obtained by boiling and drying. The research shows that leaf tea and anting-anting extraction have potential to be developed as an antibiotic. That are showed by clear zone as indicate inhibition Salmonella typhi when tested antibacterial. Both of the leaves plant are positive tannin containing, and it is indicated as inhibitor S. thypi growth.

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Cloning, sequencing, and in silico characterization of Omp 28 of Salmonella Typhi (strain MTCC 733) to develop r-DNA vaccine for typhoid fever

Journal of Natural Science Biology and Medicine ◽

10.4103/0976-9668.101885 ◽

2012 ◽

Vol 3 (2) ◽

pp. 133 ◽

Cited By ~ 2

Author(s):

MK Saxena ◽

Anjani Saxena ◽

Shantanu Tamuly

Keyword(s):

Typhoid Fever ◽

Dna Vaccine ◽

In Silico ◽

Salmonella Typhi ◽

In Silico Characterization

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Studi Penambatan Molekul Senyawa Curcuma longa pada Bakteri Resisten Carbapenem Acinetobacter baumanii dengan Metode In Silico

Jurnal Integrasi Kesehatan & Sains ◽

10.29313/jiks.v3i1.7417 ◽

2021 ◽

Vol 3 (1) ◽

pp. 124-130

Author(s):

Nabila Shafa Athharani ◽

Nugraha Sutadipura ◽

Yuli Susanti

Keyword(s):

Molecular Docking ◽

In Silico ◽

Raw Materials ◽

Curcuma Longa ◽

Docking Study ◽

The Body ◽

Molecular Docking Study ◽

Acinetobacter Baumanii ◽

Docking Method

Penemuan berbagai senyawa obat baru dari berbagai proses penelitian yang semakin memperjelas peran penting studi komputasi sebagai dasar awal untuk menemukan sumber bahan baku obat baik dari alam maupun sintetis. Infeksi nosokomial dapat disebabkan oleh bakteri, virus atau patogen lain di rumah sakit, dan ditularkan melalui peralatan di rumah sakit. Salah satu bakteri yang paling sering menyebabkan infeksi adalah Acinetobacter baumanii bakteri tersebut dapat membangun resistensi dalam tubuh. Metode penelitian ini dilakukan secara in silico dengan metode molecular docking dengan melihat penambatan molekul senyawa yang dimilikinya. Hasil penelitian menunjukkan bahwa senyawa yang diuji terhadap target reseptor yaitu Acinetobacter baumanii memiliki kemampuan sebagai antibakteri, terlihat dari ikatan afinitas yang diperoleh dari sekitar -7,7 kkal/mol hingga -8,1 kkal/mol. Kesimpulannya, kunyit dapat digunakan sebagai kandidat untuk mencegah Acinetobacter baumanii menjadi resisten. Molecular Docking Study of Curcuma Longa Compounds on Bacteria Resistant Carbapenem Acinetobacter Baumanii with in Silico MethodThe discovery of various new medicinal compounds from various research processes that further clarify the important role of computational studies as the initial basis for finding sources of medicinal raw materials both from natural and synthetic. Nosocomial infections can be caused by bacteria, viruses or other pathogens in the hospital and transmitted through equipment in the hospital. One of the bacteria that most often causes infection is Acinetobacter baumanii where these bacteria can build up resistance in the body. Method of this research is carried out in silico with the molecular docking method by looking at the docking of its compound molecules. The results showed that of the compounds tested against the receptor target, Acinetobacter Baumanii, had the ability as antibacterial, seen from the affinity bonds obtained from around -7.7 kcal/mol to -8.1 kcal/mol. Conclusion is turmeric can be used as a candidate to prevent Acinetobacter baumanii from becoming resistance.

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In Silico Analysis of Curcuma longa Against PCAF Histon Asetiltransferase

Current Biochemistry ◽

10.29244/cb.2.2.52-62 ◽

2015 ◽

Vol 2 (2) ◽

pp. 52-62

Author(s):

Artha Vinsentricia ◽

Djarot Sasongko Hami Seno ◽

Maria Bintang

Keyword(s):

Free Energy ◽

Active Site ◽

In Silico ◽

Curcuma Longa ◽

Amino Acid Residues ◽

Mechanism Of Inhibition ◽

Vitro Analysis ◽

Hat Inhibitor ◽

In Vitro Analysis

Curcumin turmeric (C. longa) has been found capable of inhibiting p300/CBP associated factor (PCAF) histone asetyltransferase (HAT) as a cancer biomarker. However, the molecular mechanism of inhibition is unkown. This study is aimed to analyse the molecular inhibition mechanisms by in silico method. The analysis showed that curcumin’s Gibbs free energy (ΔG) was stable and capable of binding amino acid residues believed to be active site of PCAF HAT. Curcumin is predicted to be a PCAF HAT inhibitor, and further in vitro analysis is required.

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The Use of Ceftriaxone Compared to Chloramphenicol in Typhoid Fever Treatment: an Evidence Based Case Report

Indonesian Journal of Tropical and Infectious Disease ◽

10.20473/ijtid.v6i3.3255 ◽

2017 ◽

Vol 6 (3) ◽

pp. 74

Author(s):

Jeffry Adijaya Susatyo

Keyword(s):

Typhoid Fever ◽

Rural Areas ◽

Bacterial Resistance ◽

Low Cost ◽

Salmonella Typhi ◽

Evidence Based ◽

Line Treatment ◽

First Line ◽

Screening Process ◽

First Line Treatment

Typhoid fever is a disease caused by the gram-negative bacterium Salmonella typhi. Since its introduction in 1949, chloramphenicol for decades become a first-line treatment of typhoid fever. Until now, chloramphenicol is still the first line treatment of typhoid fever in rural areas in Indonesia, especially due to its low cost. However, in addition to the problem of bacterial resistance, chloramphenicol is known to cause side effect such as bone marrow suppression. Right now many other antibiotics are used as regimens for treatment of typhoid fever, one of which is ceftriaxone. This report is created to answer the clinical question whether ceftriaxone is more effective compared to chloramphenicol as first-line treatment of typhoid fever. Structured search was performed on PubMed, EBSCO, and ScienceDirect and after a screening process and appraisal using criteria from Center of Evidence Based Medicine at Oxford University, three articles were selected. Two of the three articles demonstrate higher effectiveness of chloramphenicol in term of defervescence rate (P = 0.35 and P > 0.05). On the other hand, the third article shows higher effectiveness of ceftriaxone in term of defervescence rate (P = 0.0001). The conclusion drawn is that ceftriaxone showed better effectiveness in the treatment of typhoid fever compared to chloramphenicol.

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DEMAM TIFOID: MANIFESTASI KLINIS, PILIHAN TERAPI DAN PANDANGAN DALAM ISLAM

Al-Iqra Medical Journal : Jurnal Berkala Ilmiah Kedokteran ◽

10.26618/aimj.v3i1.4038 ◽

2020 ◽

Vol 3 (1) ◽

pp. 10-16

Author(s):

Yelvi Levani ◽

Aldo Dwi Prastya

Keyword(s):

Infectious Disease ◽

Typhoid Fever ◽

Digestive System ◽

Bacterial Resistance ◽

Clinical Manifestations ◽

Salmonella Typhi ◽

First Line ◽

Therapeutic Choice ◽

Acute Infectious Disease ◽

First Line Treatment

Typhoid fever is an acute infectious disease of the digestive system caused by the bacteria Salmonella typhi or Salmonella paratyphi. Typhoid fever is a global infectious disease in which an estimated 26.9 million cases of typhoid fever are found worldwide. Typhoid fever is especially common in developing countries because it is associated with poor sanitation. Clinical manifestations of typhoid fever that arise can vary from mild to severe symptoms. Symptoms of typhoid fever that are often found are fever, malaise, abdominal pain and constipation. Culture examination is a gold standard examination in establishing the diagnosis of typhoid fever. But this examination is rarely done. The first-line treatment option for typhoid fever is chloramphenicol. However, as the bacterial resistance to chloramphenicol increases, the main therapeutic choice for typhoid fever is the fluoroquinolone antibiotic.

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Repurposing of auranofin against bacterial infections: An In silico and In vitro study

Current Computer - Aided Drug Design ◽

10.2174/1386207323666200717155640 ◽

2020 ◽

Vol 16 ◽

Author(s):

Nidhi Sharma ◽

Arti Singh ◽

Ruchika Sharma ◽

Anoop Kumar

Keyword(s):

Broad Spectrum ◽

In Silico ◽

Antibacterial Agent ◽

Bacterial Infections ◽

In Vitro Assays ◽

Infection Model ◽

Synergistic Activity ◽

Bacterial Strains ◽

Molecular Docking Study

Aim: The aim of the study was to find out the role of auranofin as a promising broad spectrum antibacterial agent. Methods: In-vitro assays (Percentage growth retardation, Bacterial growth kinetics, Biofilm formation assay) and In-silico study (Molegro virtual docker (MVD) version 6.0 and Molecular operating environment (MOE) version 2008.10 software). Results: The in vitro assays have shown that auranofin has good antibacterial activity against Gram positive and Gram negative bacterial strains. Further, auranofin has shown synergistic activity in combination with ampicillin against S. aureus and B. subtilis whereas in combination with neomycin has just shown additive effect against E. coli, P. aeruginosa and B. pumilus. In vivo results have revealed that auranofin alone and in combination with standard drugs significantly decreased the bioburden in zebrafish infection model as compared to control. The molecular docking study have shown good interaction of auranofin with penicillin binding protein (2Y2M), topoisomerase (3TTZ), UDP-3-O-[3- hydroxymyristoyl] N-acetylglucosaminedeacetylase (3UHM), cell adhesion protein (4QRK), β-lactamase (5CTN) and arylsulphatase (1HDH) enzyme as that of reference ligand which indicate multimodal mechanism of action of auranofin. Finally, MTT assay has shown non-cytotoxic effect of auranofin. Conclusion: In conclusion, auranofin in combination with existing antibiotics could be developed as a broad spectrum antibacterial agent; however, further studies are required to confirm its safety and efficacy. This study provides possibility of use of auranofin apart from its established therapeutic indication in combination with existing antibiotics to tackle the problem of resistance.

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In silico discovery of novel flavonoids as poly ADP ribose polymerase (PARP) inhibitors

Current Computer - Aided Drug Design ◽

10.2174/1573409916666200408082858 ◽

2020 ◽

Vol 16 ◽

Author(s):

Ashish Shah ◽

Ghanshyam Parmar ◽

Avinash Kumar Seth

Keyword(s):

Virtual Screening ◽

In Silico ◽

Synthetic Lethality ◽

Parp Inhibitor ◽

Parp Inhibitors ◽

Docking Studies ◽

Docking Score ◽

Docking Method ◽

Anti Cancer ◽

In Silico Toxicity

Background: The concept of synthetic lethality is emerging field in the treatment of cancer and can be applied for new drug development of cancer as it has been already represented by Poly (ADP-ribose) polymerase (PARPs) inhibitors. Objectives: In this study we performed virtual screening of 329 flavonoids obtained from Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target (NPACT) database to identify novel PARP inhibitors. Materials and methods: Virtual screening carried out using different In Silico methods which includes molecular docking studies, prediction of druglikeness and In Silico toxicity studies. Results: Fifteen out of 329 flavonoids achieved better docking score as compared to rucaparib which is an FDA approved PARP inhibitor. These 15 hits were again rescored using accurate docking mode and drug-likeliness properties were evaluated. Accuracy of docking method was checked using re-docking. Finally NPACT00183 and NPACT00280 were identified as potential PARP inhibitors with docking score of -139.237 and -129.36 respectively. These two flavonoids were also showed no AMES toxicity and no carcinogenicity which was predicted using admetSAR. Conclusion: Our finding suggests that NPACT00183 and NPACT00280 have promising potential to be further explored as PARP inhibitors.

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