Eldehna, Wagdy M Maklad, Raed M Almahli, Hadia Al-Warhi, Tarfah Elkaeed, Eslam B Abourehab, Mohammed A S Abdel-Aziz, Hatem A El Kerdawy, Ahmed M
In the current work, a hybridisation strategy was adopted between the privileged building blocks, benzofuran and piperazine, with the aim of designing novel CDK2 type II inhibitors. The hybrid structures were linked to different aromatic semicarbazide, thiosemicarbazide, or acylhydrazone tails to anchor the designed inhibitors onto the CDK2 kinase ...
Ravindran, Arul Salomee Kamalabai Venkatabalasubramanian, Sivaramakrishnan... Manickam, Ranjani Anusuyadevi, Muthuswamy K Swaminathan, Jayachandran
Published in
Journal of biomolecular structure & dynamics
Cardiovascular disease (CVD) is the leading cause of mortality among the human species, however the non-existence of successful therapies to curtail the effect of Myocardial Infarction (MI) is a disquieting reality. Even though successful herbal formulations using Crataegus oxycantha (COC) is available, however, it is not recognized as an alternati...
Khan, Shama Fakhar, Zeynab Hussain, Afzal Ahmad, Aijaz Jairajpuri, Deeba Shamim Alajmi, Mohamed F Hassan, Md Imtaiyaz
Published in
Journal of biomolecular structure & dynamics
To address coronavirus disease (COVID-19), currently, no effective drug or vaccine is available. In this regard, molecular modeling approaches are highly useful to discover potential inhibitors of the main protease (Mpro) enzyme of SARS-CoV-2. Since, the Mpro enzyme plays key roles in mediating viral replication and transcription; therefore, it is ...
Rudrapal, Mithun Celik, Ismail Chinnam, Sampath Azam Ansari, Mohammad Khan, Johra Alghamdi, Saad Almehmadi, Mazen Zothantluanga, James H Khairnar, Shubham J
Published in
Saudi journal of biological sciences
The inhibition of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) and papain-like protease (PLpro) prevents viral multiplications; these viral enzymes have been recognized as one of the most favorable targets for drug discovery against SARS-CoV-2. In the present study, we screened 225 phytocompounds present in 28 d...
Shi, Youyang Wu, Yuanyuan Li, Feifei Zhang, Yang Hua, Ciyi Yang, Jianfeng Zheng, Jinzhou Chen, Lili Wei, Zheng Yue, Haiyan
...
Published in
Journal of ethnopharmacology
Epimedium brevicornu Maxim. and Cullen corylifolium (L.) Medik. are part of a traditional Chinese medicine (TCM) drug pair (ECDP) widely used in the clinical treatment of breast cancer (BC). Both drugs have been proven to have anti-tumor effect. However, the active ingredients and molecular mechanism of ECDP remain to be explored. To explore the ef...
Salman, Mahwish Tariq, Anam Mustafa, Ghulam Javed, Muhammad Rizwan Naheed, Shazia Qamar, Sarmad Ahmad
Published in
Archives of microbiology
Fungal spoilage led to a considerable economic loss of foodstuff which ultimately affects public health due to mycotoxins production. Moreover, the consumption of commercial antifungal drugs creates side effects and develops antifungal resistance. To overcome these challenges, the current work was aimed to investigate novel antifungal cyclic dipept...
Zhang, Na-Na Bai, Xue Zhao, Shan-Shan Zheng, Xue-Mei Tang, Lei Yang, Sheng-Gang Zhang, Ji-Quan
Published in
Journal of molecular modeling
Phosphatidylinositol 3-kinase (PI3K) is a key regulatory kinase in the PI3K/AKT/mTOR signaling pathway, which is involved in the regulation of cell proliferation, differentiation, apoptosis, and angiogenesis. Class IA PI3K isoforms γ and δ share a highly homologous ATP binding site and are distinguished by only a few residues around the binding sit...
Mogadem, Abeer Naqvi, Arshi Almamary, Mohamed Ali Ahmad, Wan Azlina Jemon, Khairunadwa El-Alfy, Sherif Helmy
Published in
Toxicology and applied pharmacology
Liver injuries caused by various industrial chemicals represent a serious health concern worldwide. Flexirubins are a novel class of naturally occurring bacterial pigments whose bioactivity remains largely unexplored. The present study evaluated the hepatoprotective effects of flexirubin pigment extracted from the bacterium Chryseobacterium artocar...
Wang, Xiao Wang, Rui Zhang, Zhao-Sheng Zhang, Guang-Yu Jin, Zhen Shen, Rong Du, Dan Tang, You-Zhi
Published in
European journal of medicinal chemistry
A series of pleuromutilin analogs with a substituted 1,2,4-triazole were designed, synthesized and assessed for their in vitro and in vivo antibacterial activity. Initially, the MIC of the synthesized derivatives against five strains of Staphylococcus aureus (MRSA ATCC 43300, S. aureus ATCC 29213, clinical isolation of S. aureus AD3, S. aureus 144 ...
Rudrapal, Mithun Gogoi, Neelutpal Chetia, Dipak Khan, Johra Banwas, Saeed Alshehri, Bader Alaidarous, Mohammed A Laddha, Umesh D Khairnar, Shubham J Walode, Sanjay G
...
Published in
Saudi journal of biological sciences
In view of the potential of traditional plant-based remedies (or phytomedicines) in the management of COVID-19, the present investigation was aimed at finding novel anti-SARS-CoV-2 molecules by in silico screening of bioactive phytochemicals (database) using computational methods and drug repurposing approach. A total of 160 compounds belonging to ...