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Capsaicinoids from Capsicum annuum as an Alternative FabH Inhibitor of Mycobacterium Tuberculosis: In Silico Study Krisnamurti, Gabriella Chandrakirana; Sari, Dewi Ratih Tirto; Bare, Yohanes
Makara Journal of Science Vol. 25, No. 4
Publisher : UI Scholars Hub

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The number of tuberculosis (TB) cases worldwide reached 1.5 million in 2018; thus, TB is considered a deadly disease. TB is caused by Mycobacterium tuberculosis and involves lipid synthesis. Considering the importance of lipid metabolism in bacteria, FabH may be an essential protein target for repressing lipid synthesis. Capsaicinoids from Capsicum annuum demonstrate potent antibacterial activity. This study predicted the ability of capsaicinoid compounds to inhibit FabH. In silico analysis was performed by retrieving the structure of FabH from PDB and those of selected capsaicinoid derivatives from PubChem. The compounds were docked using AutoDock Vina in PyRx 0.8 software. The interactions of FabH and different capsaicinoid derivatives showed identical binding characteristics. The bonding type most frequently observed was hydrogen bonds. In conclusion, capsaicinoid derivatives could block lipid synthesis through FabH. The relevant mechanism and biological processes should be studied further.

Analisis Bioinformatika NADH2 sebagai Penanda Seleksi Adaptif Pesut Perairan Tawar dan Pesisir Budi, Trifan; Krisnamurti, Gabriella Chandrakirana; To'bungan, Nelsiani
Biota : Jurnal Ilmiah Ilmu-Ilmu Hayati Vol 8, No 1 (2023): February 2023
Publisher : Universitas Atma Jaya Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24002/biota.v8i1.5631

Pesut merupakan mamalia perairan bersifat fakultatif yang dapat ditemui di wilayah Asia Tenggara. Populasi pesut, terutama pada perairan tawar menghadapi berbagai tekanan untuk dapat bertahan hidup sehingga digolongkan sebagai Critically Endangered pada daftar merah IUCN. Pemahaman mengenai sejarah evolusi dan aspek apa yang memfasilitasi adaptasi pesut pada perairan tawar belum banyak diketahui. Adaptasi penuh terhadap perairan tawar pada beberapa spesies lumba-lumba menunjukan adanya seleksi positif pada gen NADH subunit 2 (NADH2) di DNA mitokondria yang diperkirakan berkaitan dengan mekanisme translokasi jalur proton untuk efisiensi energi yang diperlukan dalam kolonisasi perairan tawar. Oleh sebab itu, penelitian ini dilakukan untuk mengetahui apakah gen NADH subunit 2 (NADH2) pada DNA mitokondria memfasilitasi kolonisasi pesut pada perairan tawar seperti dijumpai pada Cetacea perairan tawar lain. Melalui pendekatan bioinformatika sederhana, hasil dari penelitian ini menunjukan tidak adanya subtitusi basa yang merubah susunan asam amino Threonin menjadi Alanin pada urutan asam amino ke 297 gen NADH2 pada populasi pesut yang mendiami perairan tawar dan pesisir. Hal ini menunjukan tidak adanya seleksi adaptif pada gen NADH2 yang diperkirakan terjadi akibat kolonisasi perairan tawar yang relatif baru, sehingga perubahan asam amino belum teramati pada populasi pesut.

Eksplorasi Permeabilitas Membran : Teori dan Percobaan Wulan Sari, Adelia Dwi; Putri Susilo, Ananda Sabrina; Rahmawati, Salsabela; Fajarwati, Mega Agustin; Krisnamurti, Gabriella Chandrakirana
Florea : Jurnal Biologi dan Pembelajarannya Vol. 10 No. 2 (2023)
Publisher : UNIVERSITAS PGRI MADIUN

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25273/florea.v10i2.21137

Membran plasma adalah lapisan tipis yang mengelilingi sel secara menyeluruh, terdiri dari lapisan ganda fosfolipid dengan protein tertanam, berfungsi vital dalam menjaga integritas sel serta mengatur pergerakan zat, dan memiliki struktur dinamis yang memungkinkan komponennya bergerak secara lateral dalam fluiditas membran.Tujuan dari penelitian ini untuk meningkatkan kreativitas dan inovasi dalam diri mahasiswa, mengasah kemampuan komunikasi dan kerjasama dalam kelompok belajar. Selain itu, penelitian ini dapat menambah pengetahuan dan wawasan mengenai membran sel serta mengetahui bagaimana kelarutan lipid dalam mebran mempengaruhi proses difusi dan osmosis. Metode penelitian menggunakan metode pengamatan dan perlakuan. Hasil penelitian menunjukka bahwa pengaruh garam yang dilarutkan dalam air sebanyak 50 ml pada kentang menunjukkan dampak yang signifikan terhadap berat dan tekstur jaringan kentang. saat teh dimasukkan ke dalam air panas, molekul air di sekitarnya memiliki energi kinetik yang tinggi, memungkinkan molekul-molekul teh yang larut untuk lebih mudah bergerak dari daerah dengan konsentrasi tinggi (teh yang belum larut) ke daerah dengan konsentrasi rendah (air). methanol lebih efektif dalam mempercepat reaksi dibandingkan dengan etanol, baik pada konsentrasi mutlak maupun setelah pengenceran menggunakan konsentrasi larutanKata Kunci : Permeabilitas Membran, Difusi, Osmosis, Kelarutan Lipid.Â Â Â The plasma membrane is a thin layer that completely surrounds the cell, consisting of a phospholipid bilayer with embedded proteins, serves a vital function in maintaining cell integrity as well as regulating the movement of substances, and has a dynamic structure that allows its components to move laterally within the fluidity of the membrane. The purpose of this research is to increase creativity and innovation in students, hone communication skills and cooperation in study groups. In addition, this research can increase knowledge and insight into cell membranes and find out how lipid solubility in membranes affects the process of diffusion and osmosis. The research method used observation and treatment methods. The results showed that the effect of salt dissolved in water as much as 50 ml on potatoes showed a significant impact on the weight and texture of potato tissue. when tea is put into hot water, the surrounding water molecules have high kinetic energy, allowing the dissolved tea molecules to move more easily from the area of high concentration (undissolved tea) to the area of low concentration (water). methanol is more effective in accelerating the reaction compared to ethanol, both at absolute concentration and after dilution using solution concentration. Keywords: Membrane permeability, diffusion, osmosis, lipid solubility.Â Â Â

Analisis Bioinformatika NADH2 sebagai Penanda Seleksi Adaptif Pesut Perairan Tawar dan Pesisir Budi, Trifan; Krisnamurti, Gabriella Chandrakirana; To'bungan, Nelsiani
Biota : Jurnal Ilmiah Ilmu-Ilmu Hayati Vol 8, No 1 (2023): February 2023
Publisher : Universitas Atma Jaya Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24002/biota.v8i1.5631

Pesut merupakan mamalia perairan bersifat fakultatif yang dapat ditemui di wilayah Asia Tenggara. Populasi pesut, terutama pada perairan tawar menghadapi berbagai tekanan untuk dapat bertahan hidup sehingga digolongkan sebagai Critically Endangered pada daftar merah IUCN. Pemahaman mengenai sejarah evolusi dan aspek apa yang memfasilitasi adaptasi pesut pada perairan tawar belum banyak diketahui. Adaptasi penuh terhadap perairan tawar pada beberapa spesies lumba-lumba menunjukan adanya seleksi positif pada gen NADH subunit 2 (NADH2) di DNA mitokondria yang diperkirakan berkaitan dengan mekanisme translokasi jalur proton untuk efisiensi energi yang diperlukan dalam kolonisasi perairan tawar. Oleh sebab itu, penelitian ini dilakukan untuk mengetahui apakah gen NADH subunit 2 (NADH2) pada DNA mitokondria memfasilitasi kolonisasi pesut pada perairan tawar seperti dijumpai pada Cetacea perairan tawar lain. Melalui pendekatan bioinformatika sederhana, hasil dari penelitian ini menunjukan tidak adanya subtitusi basa yang merubah susunan asam amino Threonin menjadi Alanin pada urutan asam amino ke 297 gen NADH2 pada populasi pesut yang mendiami perairan tawar dan pesisir. Hal ini menunjukan tidak adanya seleksi adaptif pada gen NADH2 yang diperkirakan terjadi akibat kolonisasi perairan tawar yang relatif baru, sehingga perubahan asam amino belum teramati pada populasi pesut.

IN SILICO STUDY OF JATI (Tectona grandis) LEAF CONSTITUENTS AS TRADITIONAL WOUND CARE Krisnamurti, Gabriella Chandrakirana; Sukmaningsih, Anak Agung Sagung Alit; Primiani, Cicilia Novi
BIOTROPIA Vol. 32 No. 3 (2025): BIOTROPIA Vol. 32 No. 3 December 2025
Publisher : SEAMEO BIOTROP

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.11598/btb.2025.32.3.2456

HIGHLIGHTS- T. grandis leaf methanolic extract contains 82 compounds, with 17 being predominant.- Epigallocatechin 3-O cinnamate, epigallocatechin 3-O-p-coumarate, and tectograndinol predicted as the potential bioactive compounds in wound healing- Molecular docking suggests inhibitory activities against NF-κB, MMP-2, and MMP-9, and stimulatory activity against EGFR-1 that comparable to commercial drugs. ABSTRACTWound-healing process involves a physiological cascade to restore skin integrity, which includes inflammatory response, cell proliferation, and tissue reconstruction. Prolonged inflammation in wound-healing process may lead to a chronic wound stage. Proper wound care is needed to prevent wound-caused mortality. Several studies showed the potential of T. grandis leaf in wound-healing process. However, the bioactive compounds and the molecular mechanism of T. grandis leaf remains unknown. This study aimed to identify bioactive compounds and biological activity contained in T. grandis leaf extract as well as analyze its molecular mechanism in wound-healing process by conducting in silico study using NF-κB, MMP-2, MMP-9, and EGFR-1. Bioactive compounds of T. grandis leaf extract were identified with LC-MS. Three potential compounds, epigallocatechin 3-O cinnamate, epigallocatechin 3-O-p-coumarate, and tectograndinol, were selected based on the Pa score screening with the PASS prediction. Drug-likeness and pharmacokinetics properties of the selected compounds were virtually identified by SwissADME and Protox. The interactions of T. grandis bioactive compounds toward NF-κB, MMP-2, MMP-9, and EGFR-1 were compared to those of curcumin, phenytoin, and nitrofurazone as control. Molecular docking to identify the protein-ligand interaction was performed by Autodock Vina integrated in PyRx v.0.8. Among 82 bioactive compounds detected in the LC-MS analysis, epigallocatechin 3-O-cinnamate, epigallocatechin 3-O-p coumarate, and tectograndinol exhibited anti-inflammatory, antioxidant, free radical scavenger, and MMP-9 inhibitor activities. According to Lipinski’s rule of five, bioactive compounds are possible to be administered as medication. Molecular docking showed that bioactive compounds potentially bound to the active sites of NF-κB, MMP-2, and MMP-9, resulting in proteins inhibition. This study suggested that the wound-healing mechanism of T. grandis bioactive compounds were driven by EGFR-1 stimulation indicated by the ability of bioactive compounds to interact with EGFR-1 in similar manner to those of nitrofurazone. We concluded that bioactive compounds of T. grandis leaf extract has significant potential to be used as traditional wound treatment and therapy. These compounds demonstrated wound-healing activity in silico by interacting with the key molecular targets, including NF-κB, MMP-2, MMP-9, and EGFR-1.

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