Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review
VT Sabe, T Ntombela, LA Jhamba… - European Journal of …, 2021 - Elsevier
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …
clinical drug discovery, and various computational techniques and software programs are …
Huanglongbing pandemic: current challenges and emerging management strategies
Huanglongbing (HLB, aka citrus greening), one of the most devastating diseases of citrus,
has wreaked havoc on the global citrus industry in recent decades. The culprit behind such …
has wreaked havoc on the global citrus industry in recent decades. The culprit behind such …
Structural-based virtual screening and identification of novel potent antimicrobial compounds against YsxC of Staphylococcus aureus
Ribosome biogenesis GTP-binding (YsxC) is a GTPase, an essential protein involved in
ribosomal assembly and protein synthesis in Staphylococcus aureus. In the current study …
ribosomal assembly and protein synthesis in Staphylococcus aureus. In the current study …
Structure-Based Identification of Potential Drugs Against FmtA of Staphylococcus aureus: Virtual Screening, Molecular Dynamics, MM-GBSA, and QM/MM
Staphylococcus aureus is resistant to β-lactam antibiotics and causes several skin diseases
to life-threatening diseases. FmtA is found to be one of the main factors involved in …
to life-threatening diseases. FmtA is found to be one of the main factors involved in …
Identification of potential inhibitors for LLM of Staphylococcus aureus: structure-based pharmacophore modeling, molecular dynamics, and binding free energy …
Staphylococcus aureus causes various life-threatening diseases in humans and developed
resistance to several antibiotics. Lipophilic membrane (LLM) protein regulates bacterial lysis …
resistance to several antibiotics. Lipophilic membrane (LLM) protein regulates bacterial lysis …
Drug-Repurposing Approach To Combat Staphylococcus aureus: Biomolecular and Binding Interaction Study
Staphylococcus aureus is considered as one of the most widespread bacterial pathogens
and continues to be a prevalent cause of mortality and morbidity across the globe. FmtA is a …
and continues to be a prevalent cause of mortality and morbidity across the globe. FmtA is a …
Computational guided identification of novel potent inhibitors of N-terminal domain of nucleocapsid protein of severe acute respiratory syndrome coronavirus 2
Abstract The Coronavirus Disease 2019, caused by the severe acute respiratory syndrome
coronavirus 2 is an exceptionally contagious disease that leads to global epidemics with …
coronavirus 2 is an exceptionally contagious disease that leads to global epidemics with …
[HTML][HTML] Designing efficient multi-epitope peptide-based vaccine by targeting the antioxidant thioredoxin of bancroftian filarial parasite
Thioredoxin is a low molecular weight redox-active protein of filarial parasite that plays a
crucial role in downregulating the host immune response to prolong the survival of the …
crucial role in downregulating the host immune response to prolong the survival of the …
Structure-based mimicking of hydroxylated biphenyl congeners (OHPCBs) for human transthyretin, an important enzyme of thyroid hormone system
In humans, transthyretin (hTTR) is a plasma protein act as a transporter of thyroxine (T4) in
the blood. Polychlorinated biphenyls (PCBs) are used in coolants, transformers, plasticizers …
the blood. Polychlorinated biphenyls (PCBs) are used in coolants, transformers, plasticizers …
Reverse vaccinology assisted design of a novel multi-epitope vaccine to target Wuchereria bancrofti cystatin: An immunoinformatics approach
Proteases are the critical mediators of immunomodulation exerted by the filarial parasites to
bypass and divert host immunity. Cystatin is a small (∼ 15 kDa) immunomodulatory filarial …
bypass and divert host immunity. Cystatin is a small (∼ 15 kDa) immunomodulatory filarial …