Bijari, Nooshin Falsafi, Monireh Pouraghajan, Khadijeh Khodarahmi, Reza
Published in
Journal of biomolecular structure & dynamics
This investigation indicated an efficient procedure to purify human carbonic anhydrase II (hCA II) enzyme through sulfanilamide-functionalized (γ-Fe2O3-CPTES-SA) magnetic nanoparticles (MNPs), where synthesis of Fe3O4 MNPs was carried out using co-precipitation reaction. Next, 3-chloropropyltriethoxysilane (CPTES) was used to modify Fe3O4 nanoparti...
Maurya, Akhilesh Kumar Mishra, Nidhi
Published in
Journal of biomolecular structure & dynamics
Coronavirus Disease (COVID-19) is recently declared pandemic (WHO) caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). The virus was named Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), (Coronavirus Disease 2019). Currently, there is no specific drug for the therapy of COVID-19. So, there is a need to develop or f...
Sharma, Ridhi Jade, Dhananjay Mohan, Surender Chandel, Rahul Sugumar, Shobana
Published in
Journal of biomolecular structure & dynamics
Stenotrophomonas maltophilia, a Multiple-Drug-Resistant proteobacterium found in healthy normal flora and fauna with an aerobic and non-fermentative respiratory process, is majorly involved in Healthcare-Associated Infections (HAI). The Multiple-Drug-Resistance takes place by secretion of the β-Lactamase enzyme, which hydrolyzes the β-Lactam antibi...
Seshan, Gunalan Kanagasabai, Somarathinam Ananthasri, Sailapathi Kannappan, Balaji Suvitha, A Jaimohan, S M Kanagaraj, Sekar Kothandan, Gugan
Published in
Journal of biomolecular structure & dynamics
Our present work studies the structure-based pharmacophore modeling and designing inhibitor against Gal3 receptor through molecular dynamics (MD) simulations extensively. Pharmacophore models play a key role in computer-aided drug discovery like in the case of virtual screening of chemical databases, de novo drug design and lead optimization. Struc...
Shunmuga Priya, Velu Pradiba, Dhinakararajan Aarthy, Murali Singh, Sanjeev Kumar Achary, Anant Vasanthi, Mani
Published in
Journal of biomolecular structure & dynamics
Matrix Metalloproteinase-1 (MMP-1) has been often upregulated in advanced breast cancers, known to participate in ECM degradation, migration, invasion, thus leading to metastasis. Due to these effects, the condition is often reported to inversely correlate with survival in advanced breast cancers. In the present study, in-silico method was adopted ...
Bhatia, Manish S Choudhari, Sujata P Dhavale, Rakesh P Gaikwad, Vinod L
Published in
Journal of biomolecular structure & dynamics
Tumour targeting approaches used in cancer chemotherapy offers prolonged, localized, and protected drug interaction with the diseased tissue with minimal side effects and systemic toxicity, which are accountable for the failure of chemotherapy using conventional delivery systems. The purpose of the present study is to develop an anticancer targeted...
Kumar, Dinesh Bhatkalkar, Shruti G Sachar, Shilpee Ali, Ahmad
Published in
Journal of biomolecular structure & dynamics
Nanoparticles have been proven to be a great tool as bio-sensors, medical therapeutic agents and drug delivery vehicles. In this study, the chemically synthesized zinc oxide nanoparticles (ZnO NPs) have been characterized with UV-spectrophotometer, FTIR, XRD, TEM and DLS. These ZnO NPs were investigated with respect to their binding interaction wit...
Bernardes, Juliana S Eberle, Raphael J Vieira, Fabio R J Coronado, Mônika A
Published in
Journal of biomolecular structure & dynamics
Corynebacterium pseudotuberculosis is a pathogenic bacterium with great veterinary and economic importance. It is classified into two biovars: ovis, nitrate-negative, that causes lymphadenitis in small ruminants and equi, nitrate-positive, causing ulcerative lymphangitis in equines. With the explosive growth of available genomes of several strains,...
Kordonskaya, Yuliya V Marchenkova, Margarita A Timofeev, Vladimir I Dyakova, Yulia A Pisarevsky, Yurii V Kovalchuk, Michael V
Published in
Journal of biomolecular structure & dynamics
Elangovan, Nandha Devi Dhanabalan, Anantha Krishnan Gunasekaran, Krishnasamy Kandimalla, Ramesh Sankarganesh, Devaraj
Published in
Journal of biomolecular structure & dynamics
The global impact of Alzheimer's disease (AD) necessitates intensive research to find appropriate and effective drugs. Many studies in AD suggested beta-amyloid plaques and neurofibrillary tangles-associated tau protein as the key targets for drug development. On the other hand, it is proved that triggering of Glycogen Synthase Kinase-3β (GSK-3β) a...
