Zobrazeno 1 - 10
of 315
pro vyhledávání: '"Admet analysis"'
Publikováno v:
Journal of Taibah University for Science, Vol 18, Iss 1 (2024)
Costus igneus has been practiced to alleviate a range of human ailments and the substantial vision was to explore potential bio-active compounds of Costus igneus to better comprehend the underlying mechanism in the management of diabetes. In-silico a
Externí odkaz:
https://doaj.org/article/5072f30b5b9148ee85f0d4c20663afbe
Publikováno v:
Frontiers in Chemistry, Vol 12 (2024)
In this study, we leveraged a sophisticated active learning model to enhance virtual screening for SQLE inhibitors. The model’s improved predictive accuracy identified compounds with significant advantages in binding affinity and thermodynamic stab
Externí odkaz:
https://doaj.org/article/2998d118180b415780ec518bfad72b92
Autor:
Fee Faysal Ahmed, Md. Mafizur Rahman, Md. Azizul Islam, Md. Abdullah Al Mashud, Rizone Al Hasib, Mohammad Abu Hena Mostofa Jamal, Md. Shahedur Rahman, Md. Chayan Ali
Publikováno v:
F1000Research, Vol 10 (2024)
Background: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has fomented a climate of fear worldwide due to its rapidly spreading nature, and high mortality rate. The World Health Organization (WHO) declared it as a global pandemic on 11
Externí odkaz:
https://doaj.org/article/8f9f222ba6614261869b62b0d36d1e20
Autor:
Elaheh Molaakbari, Mohammad Reza Aallae, Fereshteh Golestanifar, Zahra Garakani-Nejad, Ahmad Khosravi, Mohsen Rezapour, Rahime Eshaghi Malekshah, Mahsa Ghomi, Guogang Ren
Publikováno v:
Biochemistry and Biophysics Reports, Vol 39, Iss , Pp 101804- (2024)
The present study uses molecular docking and dynamic simulations to evaluate the inhibitory effect of flavonoid glycosides-based compounds on coronavirus Main protease (Mpro) and RNA polymerase. The Molegro Virtual Docker (MVD) software is utilized t
Externí odkaz:
https://doaj.org/article/dff387d5e694434bac7e0063abec7156
Autor:
Shoaib Khan, Tayyiaba Iqbal, Yousaf Khan, Rafaqat Hussain, Muhammad Saleem Khan, Hayat Ullah, Tayyaba Zahoor, Zanib Fiaz, Muhmmad Siraj, Rashid Iqbal, Alanood S. Algarni, Lena W.M. Abdelmageed
Publikováno v:
Results in Chemistry, Vol 10, Iss , Pp 101707- (2024)
In search for a potent anti-Diabetes therapeutic agent, we have synthesized a series of indole based triazole derived sulfonothioate derivatives (1–15). These compounds were structurally elucidated via different techniques like 1HNMR, 13CNMR, and H
Externí odkaz:
https://doaj.org/article/2534878efb65433cbb4094a87bd3d33b
Autor:
Hamza Assaggaf, Naoufal El Hachlafi, Amine Elbouzidi, Mohamed Taibi, Sulaiman Mohammed Alnasser, Hajar Bendaif, Youssra Aalilou, Ahmed Qasem, Ammar Attar, Abdelhakim Bouyahya, Chrismawan Ardianto, Long Chiau Ming, Khang Wen Goh, Kawtar Fikri-Benbrahim, Hanae Naceiri Mrabti
Publikováno v:
Heliyon, Vol 10, Iss 15, Pp e34135- (2024)
Medicinal plants have been utilized for centuries in traditional medicine systems worldwide, providing a rich source of bioactive compounds with diverse biological activities. Lavandula officinalis, a member of the Lamiaceae family, has been recogniz
Externí odkaz:
https://doaj.org/article/c38e3fc32a6147d98d0339badd440f0d
Autor:
Vellaiyan, Venkatesan a, Allaka, Tejeswara Rao b, Bhoomandla, Srinu c, d, Vudari, Balaraju e, f, Chepuri, Kalyani g, Nagarajaiah, Honnappa a, ⁎
Publikováno v:
In Journal of Molecular Structure 15 April 2025 1327
Autor:
Taher, Mohammad Abdullah a, b, Hossain, Md. Jamal c, ⁎, Zahan, Miss Sharmin c, Hasan, Mohammad Mahmudul d, Ferdous, Jannatul e, Rahman, Asheka d, Khan, Mala b, Hosain, Md. Khalid a, ∗∗∗, Rashid, Mohammad A. a, ⁎⁎
Publikováno v:
In Heliyon 15 August 2024 10(15)
Autor:
Assaggaf, Hamza a, 1, El Hachlafi, Naoufal b, c, 1, Elbouzidi, Amine d, Taibi, Mohamed d, e, Alnasser, Sulaiman Mohammed f, Bendaif, Hajar g, Aalilou, Youssra c, Qasem, Ahmed a, Attar, Ammar a, Bouyahya, Abdelhakim h, ⁎⁎, Ardianto, Chrismawan i, ⁎, Ming, Long Chiau i, j, k, Goh, Khang Wen l, Fikri-Benbrahim, Kawtar b, Mrabti, Hanae Naceiri m, n
Publikováno v:
In Heliyon 15 August 2024 10(15)
Autor:
Manisha Mandal, Shyamapada Mandal
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100493- (2024)
Nipah virus (NiV), an emerging highly infectious agent, causes fatal infection to humans through zoonosis, particularly in Asian countries including India. No specific treatment or vaccine is available to cure or combat the NiV infection. Targetable
Externí odkaz:
https://doaj.org/article/e1ef2950e2a245d1bc3f9474946b71ed