Zobrazeno 1 - 10
of 6 215
pro vyhledávání: '"md simulations"'
Publikováno v:
Network Biology, Vol 14, Iss 4, Pp 266-292 (2024)
Emergence of COVID-19 and thereafter intensive research on bioactive natural compounds against SARS-CoV-2, identified a large number of phytochemicals (i.e., plants-derived) and mycochemicals (i.e., fungi-derived) as potential inhibitors with proven
Externí odkaz:
https://doaj.org/article/afbff53b1ec744e6a59233393af62be9
Autor:
Ayushi Prajapat, Mohd. Aslam, Ishika Rana, Kumar Rakesh Ranjan, Prashant Singh, Chandrabhan Verma, Akram AlFantazi, Kamlesh Kumari
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-25 (2024)
Abstract The rapid growth of industrialisation has led to the discharge of harmful effluents into water bodies, severely disrupting the balance of ecosystems. The detection and removal of dyes from wastewater remains a significant challenge. In this
Externí odkaz:
https://doaj.org/article/5806636e71904c47a24d384318e3c4dc
Publikováno v:
Future Journal of Pharmaceutical Sciences, Vol 10, Iss 1, Pp 1-22 (2024)
Abstract Background Since December 2019, a global crisis has unfolded with the emergence of a new strain of coronavirus known as SARS-CoV-2. This pandemic has afflicted hundreds of millions of people worldwide, resulting in millions of fatalities. In
Externí odkaz:
https://doaj.org/article/0563b32714fc4b95a7e963761ff1b29f
Publikováno v:
Journal of Advanced Ceramics, Vol 13, Iss 8, Pp 1268-1281 (2024)
An entropy-stabilized multicomponent ultrahigh-temperature ceramic (UHTC) coating, (Ti0.25V0.25Zr0.25Hf0.25)B2, on a graphite substrate was in-situ sintered by spark plasma sintering (SPS) from constituent transition metal diboride powders. The (Ti0.
Externí odkaz:
https://doaj.org/article/581981abbbad4c5d9a12f9c61b5ae0ca
Autor:
Fawaz Alheibshy, Abdulwahab Alamri, Saad Saeed Saad Alshahrani, Ahmed Awadh Saleh Alamri, Nasser A.Awadh Ali, Abdulwali Al-Khulaidi, Arshad Hussain, Sirajudheen Anwar
Publikováno v:
Current Plant Biology, Vol 40, Iss , Pp 100414- (2024)
Investigating the therapeutic potentials of medicinal plants remains pivotal in the discovery of novel bioactive compounds for food and pharmaceutical applications. This research delves into the phytochemical composition and biological activities of
Externí odkaz:
https://doaj.org/article/416419d5bc3f41bc92a2f674aa2e318a
Autor:
Neha M. Mhetre, Aniket L. Bhatambrekar, D. Priya, Venkatesan Saravanan, Muthukumaradoss Kathiravan, Krishna S. Shevate, Kalirajan Rajagopal, Kalyani D. Asgaonkar, Trupti S. Chitre
Publikováno v:
Chemical Physics Impact, Vol 9, Iss , Pp 100769- (2024)
Using computational approaches, the potential efficacy and specificity of 1,3,4 trisubstituted pyrazole derivatives as MtInhA inhibitors which will aid in rational drug design for tubercular therapy were forecasted. QSARINS software was used to inves
Externí odkaz:
https://doaj.org/article/2b102dfe4b1f49dea4fe4415cf83b7bc
Autor:
Wande M. Oluyemi, Goodness Nwokebu, Adeniyi T. Adewumi, Shadrach C. Eze, Chinedu C. Mbachu, Emmanuel C. Ogueli, Ngozi Nwodo, Mahmoud E.S. Soliman, Salerwe Mosebi
Publikováno v:
Chemical Physics Impact, Vol 9, Iss , Pp 100703- (2024)
Dihydrofolate reductase (DHFR) enzyme regulates de-novo folate synthesis in Plasmodium falciparum, hence a critical malaria drug target. Pyrimethamine inhibits DHFR, but resistance and lack of cross-species activity are key challenges. Therefore, thi
Externí odkaz:
https://doaj.org/article/7552f186004047a58c026536515a3229
Publikováno v:
Heliyon, Vol 10, Iss 22, Pp e40345- (2024)
Cyclin Dependent Kinase 1 (CDK1) plays a crucial role in cell cycle regulation, and dysregulation of its activity has been implicated in various cancers. Although several CDK1 inhibitors are currently in clinical trials, none have yet been approved f
Externí odkaz:
https://doaj.org/article/02c542d0b12d4915884ef8f0de7c415a
Publikováno v:
Journal of Ayurveda and Integrative Medicine, Vol 15, Iss 6, Pp 101026- (2024)
Background: The AYUSH 64 formulation helps to treat mild to moderate cases of COVID-19. Although several drugs have been proposed to combat COVID-19, no medication is available for SARS-CoV-2 infection. The RNA-dependent RNA polymerase (RdRp) is the
Externí odkaz:
https://doaj.org/article/cabfcbd55f6f44b09e17eb83f71c99a7
Autor:
Momin Ziyaul-Haque, Rashid Ayub, Mohd Usman Mohd Siddique, Amit Gangwal, Azim Ansari, Mudassar Shahid, Yogeeta O. Agrawal, Tasneem Khan
Publikováno v:
Arabian Journal of Chemistry, Vol 17, Iss 11, Pp 105995- (2024)
In this study, newly synthesized 20 nitroimidazole derivatives were subjected to 2D and 3D Quantitative Structure-Activity Relationship (QSAR) study to investigate their anti-HIV activity against both ROD and IIIB strains. Later, proposed hypothesis
Externí odkaz:
https://doaj.org/article/8188571d534142d29472f7c9037ce9db