Results 51 to 60 of about 10,449 (207)

Віртуальний скринінг властивостей серії 5- ариліденпохідних 3-(бензо[d]тіазол-2-іламіно)-2-тіоксотіазолідин-4-ону

open access: yesAnnals of Mechnikov's Institute
Вступ. Важливість іn silico аналізу була визнана через високу достовірність прогнозованих результатів. Віртуальний скринінг базується на залежності властивостей молекули від її структури. Деякі Інтернет-ресурси дають змогу спрогнозувати поведінку сполуки
Liudmila Mosula   +2 more
doaj   +1 more source

Synthesis, in-vitro inhibition of cyclooxygenases and in silico studies of new isoxazole derivatives

open access: yesFrontiers in Chemistry, 2023
Isoxazole belongs to the class of five-membered heterocyclic compounds. The process of developing new drugs has significantly gained attention due to inadequate pharmacokinetic and safety attributes of the available drugs.
Waqas Alam   +6 more
doaj   +1 more source

Activity of Secondary Metabolites of Momordica Charantia as a DNA Gyrase Inhibitor of Helicobacter Pylori: Homology Modelling and Molecular Docking [PDF]

open access: yes, 2022
Helicobacter pylori can induce gastritis, ulcers, and gastric cancer. H. pylori is also responsible for causing oropharynx, endocrine, respiratory, central nervous system, eye, and reproductive system diseases. Treatment of H.
Anggraeni, Amaliyah Dina   +1 more
core   +2 more sources

Evaluation in silico du profil toxicologique de quelques molécules isolées de Aloe vera et de la pastèque (Citrullus lanatus) utilisées dans la formulation des crèmes solaires

open access: yesRevue Congolaise des Sciences et Technologies
La pharmacocinétique et la toxicologie cutanées sont importantes en cosmétologie, car les effets nocifs de la lumière ultraviolette nécessitent une photoprotection externe, comme les crèmes solaires contenant des filtres solaires.
Christian V. Mulombela   +11 more
doaj   +1 more source

Potensi Senyawa Hidrazon berbasis Turunan 2-Tiohidantoin dan Hidrazida sebagai Inhibitor Protein E6 pada Kanker Serviks secara In Silico [PDF]

open access: yes, 2022
Setiap tahun, prevalensi penyakit kanker leher rahim di dunia semakin meningkat. Kanker serviks dapat terjadi akibat infeksi Human Papillomavirus (HPV).
Abidiy, Syafri Izzat   +5 more
core   +2 more sources

Mitochondria and Neuromast Tagging With Fluorescent Gallium‐Triapine Analogues: In Cellulo MP FLIM and Zebrafish Live Imaging

open access: yesAdvanced Science, EarlyView.
Fluorescent BODIPY‐conjugated thiosemicarbazone ligands and their Ga(III), In(III), and Fe(III) complexes, inspired by Triapine, are developed as theranostic agents. Multiphoton FLIM and confocal microscopy in cancer cells and zebrafish reveal real‐time uptake, mitochondrial localisation, and whilst spectroscopic assays indicated preserved complex ...
Megan J. Green   +15 more
wiley   +1 more source

Penelusuran Senyawa Inhibitor Dipeptidyl Peptidase-4 (DPP-4 Inhibitors atau Gliptin) Potensial untuk Diabetes Melitus Tipe 2 melalui Pendekatan In Silico dengan Evaluasi Profil ADME via SwissADME [PDF]

open access: yes
This study aims to identify the potential of in silico methods as a rapid and cost-effective approach for the initial screening of DPP-4 inhibitor candidates, as well as to identify compounds that meet drug-likeness criteria and exhibit good ADME ...
Apriyani Pramudiyawati Yunar
core   +2 more sources

Profil ADME dari Entitas Molekul Baru yang Disetujui oleh FDA Tahun 2021: Suatu Kajian In Silico [PDF]

open access: yes, 2022
Aspek farmakokinetik dan farmakodinamik yang diwakili oleh sifat adsorpsi, distribusi, metabolisme, ekskresi (ADME) merupakan syarat penting suatu obat dapat menuju targetnya.
Arief, Ihsanul, Hairunnisa, Hairunnisa
core   +1 more source

Identification of Potent Inhibitors Targeting EGFR and HER3 for Effective Treatment of Chemoresistance in Non-Small Cell Lung Cancer

open access: yesMolecules, 2023
Non-small cell lung cancer (NSCLC) is the most common form of lung cancer. Despite the existence of various therapeutic options, NSCLC is still a major health concern due to its aggressive nature and high mutation rate.
Ayed A. Dera   +6 more
doaj   +1 more source

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod   +10 more
wiley   +1 more source

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