Hussein, Essam M. Alsantali, Reem I. Morad, Moataz Obaid, Rami J. Altass, Hatem M. Sayqal, Ali Abourehab, Mohamed A. S. Elkhawaga, Amal A. Aboraia, Ahmed S. M. Ahmed, Saleh A.
...
Published in
BMC Chemistry
BackgroundThiazoles, thiazolidinones and azetidinones are highly ranked amongst natural and synthetic heterocyclic derivatives due to their great pharmaceutical potential.ResultsNew thiazolidinone and azetidinone class of bioactive agents based on 4-(2,7-dichloro-9H-fluoren-4-yl)thiazole moiety have been successfully synthesized. 4-(2,7-dichloro-9H...
Paul, Manish Pranjaya, Payel Puthal Thatoi, Hrudayanath
Published in
SN Applied Sciences
AbstractIn the present study, sequence and structural aspects of five bacterial chromate reductase-related enzymes from Escherichia coli, Pseudomonas putida, Shigella flexneri, and Synechocystis sp. have been investigated. Comparative sequence analyses of different chromate reductase family enzymes showed that Ser13 in E. coli quinone reductase rem...
Hajiahmadi, Zahra Abedi, Amin Wei, Hui Sun, Weibo Ruan, Honghua Zhuge, Qiang Movahedi, Ali
Published in
BMC Genomics
BackgroundsFatty acid desaturases (FADs) introduce a double bond into the fatty acids acyl chain resulting in unsaturated fatty acids that have essential roles in plant development and response to biotic and abiotic stresses. Wheat germ oil, one of the important by-products of wheat, can be a good alternative for edible oils with clinical advantage...
Rathod, Shravan B. Prajapati, Pravin B. Punjabi, Lata B. Prajapati, Kuntal N. Chauhan, Neha Mansuri, Mohmedyasin F.
Published in
In Silico Pharmacology
Outbreak of Coronavirus Disease 2019 (COVID-19) has become a great challenge for scientific community globally. Virus enters cell through spike glycoprotein fusion with ACE2 (Angiotensin-Converting Enzyme 2) human receptor. Hence, spike glycoprotein of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a potential target for diagnostic...
Bai, Xue-Qian Li, Chun-Shi Cui, Ming-Yue Song, Ze-Wen Zhou, Xing-Yu Zhang, Chao Zhao, Yang Zhang, Tian-Yi Jiang, Tie-Yan
Published in
Molecular diversity
The present work describes the in vitro antibacterial evaluation of some new pyrimidine derivatives. Twenty-two target compounds were designed, synthesized and preliminarily explored for their antimicrobial activities. The antimicrobial assay revealed that some target compounds exhibited significantly inhibitory efficiencies toward bacteria and fun...
Tiwari, Ashutosh Prasad Sridhar, B Boshoff, Helena I Arora, Kriti Gautham Shenoy, G Vandana, K E Varadaraj Bhat, G
Published in
Molecular diversity
Diphenyl ether derivatives inhibit mycobacterial cell wall synthesis by inhibiting an enzyme, enoyl-acyl carrier protein reductase (InhA), which catalyses the last step in the fatty acid synthesis cycle of genus Mycobacterium. To select and validate a protein crystal structure of enoyl-acyl carrier protein reductase of Mycobacterium tuberculosis fo...
Mahajan, Prasad G Dige, Nilam C Vanjare, Balasaheb D Raza, Hussain Hassan, Mubashir Seo, Sung-Yum Kim, Chong- Hyeak Lee, Ki Hwan
Published in
Molecular diversity
We have designed and synthesized a novel acidic ionic liquid and explored its catalytic efficiency for the synthesis of 1,2,4-triazolidine-3-thione derivatives. A simple reaction between aldehydes and thiosemicarbazide for short time in 60:40 v/v water/ethanol at room temperature offers target 1,2,4-triazolidine-3-thione derivatives. The formation ...
Wang, Fangfang Zhou, Bo
Published in
Molecular diversity
The angiotensin I-converting enzyme (ACE) has been found to exhibit inhibitory capability against blood pressure. Recently, several ACE inhibitors with different structures have been reported. In the present work, molecular modeling studies using quantitative structure-activity relationship (QSAR) and molecular docking simulations were carried out....
Sun, Bin Dong, Yue An, Yunfei Liu, Min Han, Jun Zhao, Liyu Liu, Xinyong
Published in
European journal of medicinal chemistry
Ergosterol as the core component of fungal cell membrane plays a key role in maintaining cell morphology and permeability. The squalenee epoxidase (SE) and 14-demethylase (CYP51) are the important rate-limiting enzymes for ergosterol synthesis. In the study, these active fragments, which is derived from the structural groups of the common antifunga...
Kaur, Hardeep Singh, Lovepreet Chibale, Kelly Singh, Kamaljit
Published in
Molecular diversity
Designing small molecule-based new drug candidates through structure modulation of the existing drugs has drawn considerable attention in view of inevitable emergence of resistance. A new series of isoniazid-pyrimidine conjugates were synthesized in good yields and evaluated for antitubercular activity against the H37Rv strain of Mycobacterium tube...
