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  1. Article ; Online: In silico formulation of a next-generation multiepitope vaccine for use as a prophylactic candidate against Crimean-Congo hemorrhagic fever

    Rahat Alam / Abdus Samad / Foysal Ahammad / Suza Mohammad Nur / Ahad Amer Alsaiari / Raihan Rahman Imon / Md. Enamul Kabir Talukder / Zulkar Nain / Md. Mashiar Rahman / Farhan Mohammad / Tomasz M. Karpiński

    BMC Medicine, Vol 21, Iss 1, Pp 1-

    2023  Volume 19

    Abstract: Abstract Background Crimean-Congo hemorrhagic fever (CCHF) is a widespread disease transmitted to humans and livestock animals through the bite of infected ticks or close contact with infected persons’ blood, organs, or other bodily fluids. The virus is ... ...

    Abstract Abstract Background Crimean-Congo hemorrhagic fever (CCHF) is a widespread disease transmitted to humans and livestock animals through the bite of infected ticks or close contact with infected persons’ blood, organs, or other bodily fluids. The virus is responsible for severe viral hemorrhagic fever outbreaks, with a case fatality rate of up to 40%. Despite having the highest fatality rate of the virus, a suitable treatment option or vaccination has not been developed yet. Therefore, this study aimed to formulate a multiepitope vaccine against CCHF through computational vaccine design approaches. Methods The glycoprotein, nucleoprotein, and RNA-dependent RNA polymerase of CCHF were utilized to determine immunodominant T- and B-cell epitopes. Subsequently, an integrative computational vaccinology approach was used to formulate a multi-epitopes vaccine candidate against the virus. Results After rigorous assessment, a multiepitope vaccine was constructed, which was antigenic, immunogenic, and non-allergenic with desired physicochemical properties. Molecular dynamics (MD) simulations of the vaccine-receptor complex show strong stability of the vaccine candidates to the targeted immune receptor. Additionally, the immune simulation of the vaccine candidates found that the vaccine could trigger real-life-like immune responses upon administration to humans. Conclusions Finally, we concluded that the formulated multiepitope vaccine candidates would provide excellent prophylactic properties against CCHF.
    Keywords CCHF ; Multiepitope vaccine ; Immunoinformatics ; Immune simulation ; Molecular dynamics simulation ; Molecular docking ; Medicine ; R
    Subject code 616
    Language English
    Publishing date 2023-02-01T00:00:00Z
    Publisher BMC
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Evaluation of Senna tora (L.) Roxb. leaves as source of bioactive molecules with antioxidant, anti-inflammatory and antibacterial potential

    Md. Mashiar Rahman / Md. Abdullah Al Noman / Shapla Khatun / Rahat Alam / Md. Mahade Hasan Shetu / Enamul Kabir Talukder / Raihan Rahman Imon / Md. Yaman Biswas / K.M. Anis-Ul-Haque / Mohammad Jashim Uddin / Shahina Akhter

    Heliyon, Vol 9, Iss 1, Pp e12855- (2023)

    2023  

    Abstract: Senna tora (L.) Roxb. is an ethno-medicinal herb used by rural and tribal people of the Satpura region of Madhya Pradesh in India and the Phatthalung Province of Thailand for treating rheumatism, bronchitis, ringworm, itches, leprosy, dyspepsia, liver ... ...

    Abstract Senna tora (L.) Roxb. is an ethno-medicinal herb used by rural and tribal people of the Satpura region of Madhya Pradesh in India and the Phatthalung Province of Thailand for treating rheumatism, bronchitis, ringworm, itches, leprosy, dyspepsia, liver disorders and heart disorders. It is also used in Chinese and Ayurvedic medicine. This study was conducted to investigate the potential of Senna tora (L.) Roxb. as a source of drug candidates against oxidants, inflammation, and bacterial infection. Preliminary phytochemical screening (PPS) and GC-MS were performed to identify the phytochemicals in the ethyl acetate extract of Senna tora (L.) Roxb. leaves (EAESTL). The in vitro antioxidant activity was assessed by 2,2-diphenyl-1-picrylhydrazyl (DPPH)- and H2O2-scavenging tests; the in vitro anti-inflammatory activity was determined by bovine serum albumin (BSA) denaturation and red blood cell (RBC) hemolysis inhibition; and the antibacterial activity was evaluated by agar-well diffusion methods. Cytotoxicity was estimated by Artemia salina larvae lethality, while acute toxicity was evaluated by oral delivery of the extract to mice. In silico antioxidant, anti-inflammatory, and antibacterial activities were predicted by the Prediction of Activity Spectra for Substances (PASS) program. The pharmacokinetics related to ADME and toxicity tests were determined by the admetSAR2 and ADMETlab2 web servers, and drug-able properties were assessed by the SwissADME server. GC-MS detected fifty-nine phytochemicals that support the types of compounds (phenols, flavonoids, tannins, terpenoids, saponins, steroids, alkaloids, glycosides and reducing sugar) identified by phytochemical screening. EAESTL exhibited dose-dependent antioxidant, anti-inflammatory, and antibacterial activities without any adverse effects or fluctuations in body weight. The PASS program predicted that the identified phytochemicals have antioxidant, anti-inflammatory and antibacterial activities. Among 51 phytochemicals, 16 showed good ADME, and 8 fulfilled ...
    Keywords Senna tora (L.) Roxb ; Antioxidant activity ; Anti-inflammatory activity ; Antibacterial activity ; Phytochemicals ; PASS ; Science (General) ; Q1-390 ; Social sciences (General) ; H1-99
    Subject code 571
    Language English
    Publishing date 2023-01-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Ruellia prostrata Poir. activity evaluated by phytoconstituents, antioxidant, anti-inflammatory, antibacterial activity, and in silico molecular functions

    Shahina Akhter / Md. Walid Hossain / Sharmin Sultana / Jannatul Ferdous Jharna / Nigar Sultana Meghla / Rahat Alam / K.M. Anis-Ul-Haque / Md. Mashiar Rahman

    Journal of Saudi Chemical Society, Vol 26, Iss 1, Pp 101401- (2022)

    2022  

    Abstract: Ruellia prostrata Poir. has been used historically as an anti-cancer, wound healing agent and to treat gonorrhea. We aimed to determine the phytochemicals present in ethyl acetate extract of R. prostrata Poir. (EAERP). We sought to determine the ... ...

    Abstract Ruellia prostrata Poir. has been used historically as an anti-cancer, wound healing agent and to treat gonorrhea. We aimed to determine the phytochemicals present in ethyl acetate extract of R. prostrata Poir. (EAERP). We sought to determine the antioxidant, anti-inflammatory, and antibacterial activities in vitro, and toxicity properties in vivo. We also analyzed the Prediction of Activity Spectra for Substances (PASS), physicochemical, ADMET, and drug-likeness properties of phytochemicals in EAERP. To determine phytoconstituents, preliminary phytochemical screening and GC–MS were performed, while FT-IR was used to identify functional groups. The antioxidant activity was evaluated using a DPPH scavenging assay, whereas BSA denaturation and RBC hemolysis inhibition were used to assess anti-inflammatory activity. An agar-well-diffusion assay was performed to estimate the antibacterial activity. Brine shrimp lethality bioassay and oral delivery of EAERP of single-dose were performed to determine cytotoxicity and acute toxicity, respectively. The phytochemical screening revealed the presence of phenols, triterpenoids, saponins, steroids, amino acids, and fat and fixed oils. FT-IR analysis of EAERP showed the presence of many functional groups: alcohols/phenols, carboxylic acids, aldehydes, alkanes, esters, amines, amides, aromatic hydrocarbons, sulfoxides, and alkyl halides. GC–MS revealed the presence of 39 phytoconstituents including steroids, consistent with compounds and functional groups found in preliminary screening and FT-IR. EAERP showed dose-dependent antioxidant activity with an IC50 value of 21.402 µg/mL and anti-inflammatory activity with an IC50 value of 20.564 µg/mL in RBC hemolysis inhibition and 21.115 µg/mL in BSA denaturation assays. EAERP also exhibited dose-related antibacterial activity. EAERP exerted cytotoxicity with an LC50 value of 17.619 μg/mL and acute toxicity with an LD50 value of 4095.328 mg/kg without any adverse effects. The PASS server also predicted that the phytoconstituents of ...
    Keywords Ruellia prostrata Poir ; GC–MS ; Phytoconstituents ; Antioxidant activity ; Anti-inflammatory activity ; Antibacterial activity ; Chemistry ; QD1-999
    Subject code 540 ; 500
    Language English
    Publishing date 2022-01-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

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    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

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