?url_ver=Z39.88-2004&rft_id=1917011088&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.title=PREDIKSI+KANDIDAT+SENYAWA+HASIL+ISOLASI+DARI+KULIT%0D%0ABATANG+Sesbania+grandiflora+(L.)+SEBAGAI+ANTI-INFLAMMASI%0D%0ACOVID-19+MENGGUNAKAN+ANALISIS+NETWORK+PHARMACOLOGY%2C%0D%0AMOLECULAR+DOCKING+DAN+MOLECULAR+DYNAMICS+SIMULATIONS&rft.creator=Havier+%2C+Maheswara+Putra&rft.subject=500+ilmu+pengetahuan+alam+dan+matematika&rft.subject=540+Kimia+dan+ilmu+yang+berhubungan&rft.description=Turi+putih+(S.+grandiflora)+merupakan+salah+satu+tumbuhan+asli+Indonesia+yang%0D%0Abiasa+dimanfaatkan+sebagai+anti-inflammasi.+Tujuan+penelitian+ini+adalah+untuk%0D%0Amendapatkan+senyawa+yang+potensial+sebagai+anti-inflammasi+COVID-19%0D%0Amenggunakan+analisis+Network+Pharmacology%2C+Molecular+Docking%2C+dan+Molecular%0D%0ADynamics+Simulations.+Senyawa+yang+berhasil+diisolasi+dari+kulit+batang+turi+putih%0D%0Adan+target+proteinnya+diperoleh+melalui+proses+data+mining%2C+dan+dibuat+jaringan%0D%0Asenyawa-target+protein.+Selanjutnya%2C+jaringan+target+protein+untuk+penyakit%0D%0Ainflammasi+COVID-19+juga+dibuat+agar+dapat+digabungkan+dengan+jaringan%0D%0Asenyawa-target+protein.+Selanjutnya%2C+jaringan+Protein-Protein+Interaction+(PPI)%0D%0Adibangun%2C+berdasarkan+target+protein+yang+mengalami+overlapping.+Target+protein%0D%0Adengan+nilai+degree+tertinggi+secara+berurutan+adalah+SRC%2C+MAPK1%2C+HSP90AA1%2C%0D%0APIK3R1%2C+AKT1%2C+RELA%2C+JAK2%2C+PTPN11%2C+NFKB1%2C+ERBB2+dengan+nilai+degree%0D%0Amasing-masing+yakni+23%2C+19%2C+17%2C+17%2C+16%2C+14%2C+14%2C+13%2C+13%2C+dan+11.+Setelah+itu%2C%0D%0Adilakukan+filtering+berdasarkan+topologi+degree%2C+betwenness+centrality%2C+dan%0D%0Acloseness+centrality%2C+untuk+mendapat+target+protein+paling+signifikan+dengan+hasil%0D%0Atarget+protein+SRC%2C+MAPK1%2C+PIK3R1%2C+HSP90AA1%2C+dan+AKT1.+Berdasarkan+GO+%26%0D%0AKEGG+Enrichment+Analysis%2C+target+protein+signifikan+kebanyakan+berasosiasi%0D%0Adengan+anotasi+Biological+Processes+response+to+hormone+dan+KEGG+Pathway%0D%0Ayakni+MAPK+signalling+pathway+%26+PIK3-Akt+signalling+pathway+dalam+pathway%0D%0Ain+cancer.+Berdasarkan+validasi+Molecular+Docking%2C+senyawa+sesbagrandiflorain+A%0D%0Amemiliki+energi+ikatan+terbaik+sebesar+-9+kcal%2Fmol+dengan+membentuk+3+ikatan%0D%0Ahidrogen+pada+LYS+295+(4%2C65+%C3%85)%2C+THR+338+(5%2C41+%C3%85)%2C+PHE+405+(3%2C10+%C3%85)+dengan%0D%0Atarget+protein+SRC+serta+stabil+selama+Molecular+Dynamics+Simulations%0D%0Aberdasarkan+nilai+rata-rata+RMSD+%26+RMSF+masing-masing+sebesar+1%2C1+%C3%85+dan+0%2C65%0D%0A%C3%85.%0D%0AKata+kunci%3A+S.+grandiflora%2C+anti-inflammasi%2C+COVID-19%2C+Network+Pharmacology%2C%0D%0AMolecular+Docking%2C+Molecular+Dynamics+Simulations%0D%0A%0D%0AWhite+turi+(S.+grandiflora)+is+a+native+Indonesian+plant+which+is+commonly+used+as%0D%0Aan+anti-inflammatory.+The+aim+of+this+study+was+to+obtain+potential+compounds+as%0D%0Aanti-inflammatory+for+COVID-19+using+Network+Pharmacology%2C+Molecular%0D%0ADocking%2C+and+Molecular+Dynamics+Simulations+analysis.+Compounds+that+were%0D%0Asuccessfully+isolated+from+the+stem+bark+of+white+turi+and+their+protein+targets+were%0D%0Aobtained+through+a+data+mining+process%2C+and+a+compound-protein+target+network%0D%0Awas+made.+Furthermore%2C+the+protein+target+network+for+the+inflammatory+disease%0D%0ACOVID-19+was+also+made+so+that+it+could+be+combined+with+the+protein+target%0D%0Acompound+network.+A+Protein-protein+interaction+(PPI)+network+is+constructed%0D%0Abased+on+the+overlapping+protein+targets.+The+protein+targets+with+the+highest+degree%0D%0Avalues+sequentially+are+SRC%2C+MAPK1%2C+HSP90AA1%2C+PIK3R1%2C+AKT1%2C+RELA%2C+JAK2%2C%0D%0APTPN11%2C+NFKB1%2C+ERBB2+with+respective+degree+values+of+23%2C+19%2C+17%2C+17%2C+16%2C+14%2C%0D%0A14%2C+13%2C+13%2C+and+11.+After+that%2C+filtering+was+carried+out+based+on+topology+degree%2C%0D%0Abetweenness+centrality%2C+and+closeness+centrality%2C+to+get+the+most+significant+protein%0D%0Atargets+with+the+results+of+protein+targets+SRC%2C+MAPK1%2C+PIK3R1%2C+HSP90AA1%2C+and%0D%0AAKT1.+Based+on+GO+%26+KEGG+Enrichment+Analysis%2C+significant+protein+targets+are%0D%0Amostly+associated+with+the+annotation+of+Biological+Processes+response+to+hormone%0D%0Aand+KEGG+Pathway+namely+MAPK+signalling+pathway+%26+PIK3-Akt+signalling%0D%0Apathway+in+pathway+in+cancer.+Based+on+Molecular+Docking+validation%2C%0D%0Asesbagrandiflorin+A+has+the+best+bond+energy+of+-9+kcal%2Fmol+by+forming+3+hydrogen%0D%0Abonds+at+LYS+295+(4.65+%C3%85)%2C+THR+338+(5.41+%C3%85)%2C+PHE+405+(3.10+%C3%85)+with+SRC+protein%0D%0Atargets+and+stable+during+Molecular+Dynamics+Simulations+based+on+RMSD+%26%0D%0ARMSF+mean+values+of+1.1+%C3%85+and+0.65+%C3%85%2C+respectively.%0D%0AKeywords%3A+S.+grandiflora%2C+anti-inflammatory%2C+COVID-19%2C+Network+Pharmacology%2C%0D%0AMolecular+Docking%2C+Molecular+Dynamics+Simulations&rft.publisher=FAKULTAS+MATEMATIKA+DAN+ILMU+PENGETAHUAN+ALAM&rft.date=2023-07-28&rft.type=Skripsi&rft.type=NonPeerReviewed&rft.format=text&rft.identifier=http%3A%2F%2Fdigilib.unila.ac.id%2F76525%2F1%2FABSTRAK.pdf&rft.format=text&rft.identifier=http%3A%2F%2Fdigilib.unila.ac.id%2F76525%2F2%2FSKRIPSI%2520FULL.pdf&rft.format=text&rft.identifier=http%3A%2F%2Fdigilib.unila.ac.id%2F76525%2F3%2FSKRIPSI%2520TANPA%2520BAB%2520PEMBAHASAN.pdf&rft.identifier=++Havier+%2C+Maheswara+Putra++(2023)+PREDIKSI+KANDIDAT+SENYAWA+HASIL+ISOLASI+DARI+KULIT+BATANG+Sesbania+grandiflora+(L.)+SEBAGAI+ANTI-INFLAMMASI+COVID-19+MENGGUNAKAN+ANALISIS+NETWORK+PHARMACOLOGY%2C+MOLECULAR+DOCKING+DAN+MOLECULAR+DYNAMICS+SIMULATIONS.++FAKULTAS+MATEMATIKA+DAN+ILMU+PENGETAHUAN+ALAM%2C+UNIVERSITAS+LAMPUNG.+++++&rft.relation=http%3A%2F%2Fdigilib.unila.ac.id%2F76525%2F