Results 31 to 40 of about 10,523 (171)

In-Silico Studies toward the Improvement of the Antibacterial Activity of Pristinamycin IIB

Chemistry Proceedings, 2021
Pristinamycin IIB (PIIB) is a potent antibiotic with limited use, due to some structural problems and also due to the bacterial resistance exhibited toward the antibiotic.
Assia Chebieb, Chewki Ziani-Cherif, Khadidja Bellifa   +2 more
doaj   +1 more source

β-Aminopropioamidoximes derivatives as potential antitubercular agents against anthropozoonotic infections caused by Mycobacterium tuberculosis and Mycobacterium bovis [PDF]

Veterinary World
Background and Aim: Tuberculosis (TB) remains a significant global health challenge, with increasing incidences of drug-sensitive (DS) and multidrug-resistant (MDR) TB.
Lyudmila Kayukova, Venera Bismilda, Kairat Turgenbayev, Asem Uzakova, Gulnur Baitursynova, Umirzak Jussipbekov, Meruyert Mukanova, Lyailya Chingissova, Gulnur Dyussembayeva, Assiya Borsynbayeva, Azamat Yerlanuly, Ablay Auyezov   +11 more
doaj   +1 more source

Pharmacokinetics properties of carotenoids.

, 2022
Carotenoids’ pharmacokinetics properties were evaluated by SwissADME tool. (XLSX)
Mohammad Ali Amoozegar (2370607), Farzaneh Taghipour (14304933), Nasrin Motamed (2294488), Soodeh Mahdian (14304936), Maryam Shahhoseini (2007535)   +4 more
core   +1 more source

Quantitative structure-activity relationship, molecular docking, drug-likeness, and pharmacokinetic studies of some non-small cell lung cancer therapeutic agents

Beni-Suef University Journal of Basic and Applied Sciences, 2020
Background Lung cancer has been reported to be among the leading cancer cases in the world. It was also reported to have caused a lot of death every year and accounted for about one-third of the whole cancer deaths in the globe.
Muhammad Tukur Ibrahim, Adamu Uzairu, Sani Uba, Gideon Adamu Shallangwa   +3 more
doaj   +1 more source

in silico chemical modeling of Problem 1 predictions from top performers.

, 2021
Additional hits from top performing teams were characterized using SwissADME to identify compounds with preferred absorption, distribution, metabolism, excretion, and other medicinal chemistry properties. (XLSX)
Jinhyuk Lee (639289), Hualiang Jiang (19452), Avner Schlessinger (13924), Minji Jeon (765687), Zhaoping Xiong (7178294), Justin Guinney (215130), Ross Cagan (104912), Jaewoo Kang (239124), Mingyue Zheng (180908), Chana Hecht (11432742), Robert J. Allaway (11432727), Donghyeon Park (11432730), Xindi Guo (11432739), Alex Tropsha (395906), Miyoung Ko (11432736), Hwisang Jeon (11432733), Aik Choon Tan (7497764), Heather A. Carlson (488111), Ruben Abagyan (220938), Tirtha K. Das (11432745), Kristen K. Dang (6641054)   +20 more
core   +1 more source

Potential application of bisoprolol derivative compounds as antihypertensive drugs: synthesis and in silico study

Royal Society Open Science, 2023
Two bisoprolol derivatives, N-acetyl bisoprolol and N-formyl bisoprolol, belonging to the beta-blocker class of antihypertensive drugs, were synthesized using acetylation and formylation reactions. The yields of the reactions were determined to be 32.40%
Ni Putu Sani Oktaviani, Atthar Luqman Ivansyah, Muhammad Yogi Saputra, Nurrahmi Handayani, Nurdiani Fadylla, Deana Wahyuningrum   +5 more
doaj   +1 more source

DNA Damage prevention by the use of Computational Designed Microlpastics adsorbing Chemicals.

Baghdad Journal of Biochemistry and Applied Biological Sciences
Cancer development is driven by uncontrolled cellular proliferation resulting from the accumulation of genetic mutations. One of the most well-studied mechanisms behind these mutations is DNA damage.
Khadija Abbas Sahan, Zahraa Abbas Sahan
doaj   +1 more source

In Silico, SwissADME, and DFT Studies of Newly Synthesized Oxindole Derivatives Followed by Antioxidant Studies

Journal of Chemistry, 2023
The compounds were synthesized by refluxing 6-chlorooxindole with 2,3-dichlorobenzaldehyde and 2,6-dichlorobenzaldehyde in the presence of piperidine as a catalyst and characterized by spectroscopic analysis using 1H NMR, 13C NMR, and mass spectrometry ...
Abdur Rauf, Haroon Khan, Momin Khan, Ali Abusharha, Goncagül Serdaroğlu, Maria Daglia   +5 more
doaj   +1 more source

In silico prediction of the pharmacological potential of new 7-alkyl-8-hydrazine derivatives of 1,3-dimethylxanthine

Aktualʹnì Pitannâ Farmacevtičnoï ì Medičnoï Nauki ta Praktiki
The development of new drug-like molecules based on 7-R-8-hydrazine derivatives of 1,3-dimethylxanthine is promising in view of the known pharmacological effect of theophylline and functional hydrazine derivatives.
L. M. Mosula, V. S. Mosula, D. B. Korobko   +2 more
doaj   +1 more source

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

Annals 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, Iryna Kolodych, Viktoriia Mosula   +2 more
doaj   +1 more source